基本信息
CAS号：
360568-86-1
英文名称：
分子式：
C26H29N5O4
分子量：
475.53956580162
名称与标识
名称
英文别名：
KT375O251O;Q27282422;1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-11-(((4-methyl-;
标识符
InChIKey：
HWIPWYQAUWVPGT-SANMLTNESA-N
Inchi：
1S/C26H29N5O4/c1-3-26(34)20-12-22-23-18(14-31(22)24(32)19(20)15-35-25(26)33)17(16-6-4-5-7-21(16)28-23)13-27-30-10-8-29(2)9-11-30/h4-7,12,27,34H,3,8-11,13-15H2,1-2H3/t26-/m0/s1
SMILES：
O1C([C@](CC)(C2C=C3C4C(=C(C5C=CC=CC=5N=4)CNN4CCN(C)CC4)CN3C(C=2C1)=O)O)=O
物化性质
计算特性
- 精确分子量 : 475.22195442g/mol
- 氢键供体数量 : 2
- 氢键受体数量 : 8
- 可旋转化学键数量 : 4
- 同位素质量 : 475.22195442g/mol
- 重原子数量 : 35
- 复杂度 : 957
- 同位素原子数量 : 0
- 确定原子立构中心数量 : 1
- 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） : 0.4
- 拓扑分子极性表面积 : 98.2
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