基本信息
- 标准SMILES
CCN1c2ncccc2C(=O)Nc2c(C)cc(Cl)nc21- InChIKey
CXJPWCNKFIWDQB-UHFFFAOYSA-N- 分子式
- C14H13ClN4O
- 平均分子量
- 288.73 g/mol
名称与标识
- 首选名称
- Dipyridodiazepinone deriv. 15
- IUPAC
- 5-chloro-2-ethyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
名称与别名
Dipyridodiazepinone deriv. 15BDBM1528CHEMBL142837SCHEMBL8303477CXJPWCNKFIWDQB-UHFFFAOYSA-N2-chloro-11-ethyl-4-methyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one2-Chloro-11-ethyl-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one2-chloro-5,11-dihydro-11-ethyl-4 -methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one2-chloro-5,11-dihydro-11-ethyl-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one2-chloro-5,11-dihydro-11l-ethyl-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5-chloro-2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
数据库标识
- PubChem CID
- 463144
- ChEMBL
CHEMBL142837
性质
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 58.1 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 1
- 重原子
- 20
- 形式电荷
- 0
- 复杂度
- 380
相关反应
17 条
关联笔记
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