80154-50-3 ((1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-4-oxobutyl]-1-(phenyl-4-t)- (9CI))

快速询单

结构式：

1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-4-oxobutyl]-1-(phenyl-4-t)- (9CI)MOL文件

CAS号：

80154-50-3

英文名称：

1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-4-oxobutyl]-1-(phenyl-4-t)- (9CI)

分子式：

C₂₃H₂₆FN₃O₂

分子量：

397.477958440781

1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-4-oxobutyl]-1-(phenyl-4-t)- (9CI)(80154-50-3)名称与标识符

名称

英文别名：

1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-4-oxobutyl]-1-(phenyl-4-t)- (9CI);SPIPERONE [BENZENE RING- 3H];3H-Spiperone;8KZ649LMN4;80154-50-3;Spiperone H-3;Spiperone,[benzene ring-3h];1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-(phenyl-4-t)-;UNII-8KZ649LMN4;

标识符

InChIKey：

DKGZKTPJOSAWFA-CNRUNOGKSA-N

Inchi：

1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)/i1T

SMILES：

FC1C=CC(=CC=1)C(CCCN1CCC2(C(NCN2C2C=CC([3H])=CC=2)=O)CC1)=O

1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-4-oxobutyl]-1-(phenyl-4-t)- (9CI)(80154-50-3)物化性质

实验特性

LogP : 3.54880
PSA : 52.65000

计算特性

精确分子量 : 397.20912949g/mol
氢键供体数量 : 1
氢键受体数量 : 5
可旋转化学键数量 : 6
同位素质量 : 397.20912949g/mol
重原子数量 : 29
复杂度 : 577
同位素原子数量 : 1
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 3
拓扑分子极性表面积 : 52.6Å²

1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-4-oxobutyl]-1-(phenyl-4-t)- (9CI)(80154-50-3)安全信息

WGK Germany： 1
安全术语： 7-16-36/37
安全说明： 7-16-36/37
风险术语： 11-63
危险品标志： F Xn R
危险品运输编号： UN 2910 7
储存条件： −20°C
危险类别码： 11-63

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960化工网为您提供1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-4-oxobutyl]-1-(phenyl-4-t)- (9CI)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.80154-50-3,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:80154-50-3 国际站:80154-50-3