2034536-53-1 ((1-{2-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]acetyl}-4-phenylpiperidine-4-carboxylic acid)

结构式：

$1-{2-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]acetyl}-4-phenylpiperidine-4-carboxylic acid结构式图片|2034536-53-1结构式图片$

1-{2-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]acetyl}-4-phenylpiperidine-4-carboxylic acidMOL文件

CAS号：

2034536-53-1

英文名称：

1-{2-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]acetyl}-4-phenylpiperidine-4-carboxylic acid

分子式：

C₃₂H₃₄N₄O₅

分子量：

554.636168003082

1-{2-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]acetyl}-4-phenylpiperidine-4-carboxylic acid(2034536-53-1)名称与标识符

名称

英文别名：

1-(2-(4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)piperazin-1-yl)acetyl)-4-phenylpiperidine-4-carboxylic acid;1-[2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]acetyl]-4-phenylpiperidine-4-carboxylic acid;1-{2-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]acetyl}-4-phenylpiperidine-4-carboxylic acid;

标识符

InChIKey：

CMZSSCYERCPRMK-UHFFFAOYSA-N

Inchi：

1S/C32H34N4O5/c37-27(35-14-12-32(13-15-35,31(40)41)24-8-2-1-3-9-24)22-34-18-16-33(17-19-34)20-21-36-29(38)25-10-4-6-23-7-5-11-26(28(23)25)30(36)39/h1-11H,12-22H2,(H,40,41)

SMILES：

OC(C1(C2C=CC=CC=2)CCN(C(CN2CCN(CCN3C(C4=CC=CC5=CC=CC(=C45)C3=O)=O)CC2)=O)CC1)=O

1-{2-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]acetyl}-4-phenylpiperidine-4-carboxylic acid(2034536-53-1)物化性质

计算特性

氢键供体数量 : 1
氢键受体数量 : 7
可旋转化学键数量 : 7
重原子数量 : 41
复杂度 : 966
疏水参数计算参考值（XlogP） : 0.8
拓扑分子极性表面积 : 102

81597-51-5(5-溴-4-甲基-2-噻吩磺酰氯) 816-16-0(2-Ethylpentanoic acid methyl ester) 81592-99-6(5-(氨基羰基)-2-甲氧基苯磺酰氯) 81597-52-6(5-Bromo-N-methyl-2-thiophenesulfonamide) 81633-30-9(Ethyl 4-methyl-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate) 81660-73-3(异烟酸叔丁酯) 817209-46-4(辛诺林，4-氯-7-硝基-) 80904-75-2(3-(hydroxymethyl)-2H-furan-5-one)

960化工网为您提供1-{2-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]acetyl}-4-phenylpiperidine-4-carboxylic acid专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.2034536-53-1,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:2034536-53-1 国际站:2034536-53-1

2034536-53-1 ((1-{2-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]acetyl}-4-phenylpiperidine-4-carboxylic acid)

1-{2-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]acetyl}-4-phenylpiperidine-4-carboxylic acid(2034536-53-1)名称与标识符

名称

标识符

1-{2-[4-(2-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}ethyl)piperazin-1-yl]acetyl}-4-phenylpiperidine-4-carboxylic acid(2034536-53-1)物化性质

计算特性

目录