基本信息
- 标准SMILES
CCN1c2ncccc2C(=O)Nc2c(C)cc(C)nc21- InChIKey
UDDMNBYVRLYNKY-UHFFFAOYSA-N- 分子式
- C15H16N4O
- 平均分子量
- 268.31 g/mol
名称与标识
- 首选名称
- Dipyridodiazepinone deriv. 5
- IUPAC
- 2-ethyl-5,7-dimethyl-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. 5BDBM1520CHEMBL342103SCHEMBL8300301UDDMNBYVRLYNKY-UHFFFAOYSA-N11-ethyl-2,4-dimethyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one11-Ethyl-2,4-dimethyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one5,11-dihydro-11-ethyl-2,4-dimethyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5,11-dihydro-2,4-dimethyl-11-ethyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine-6-one2-ethyl-5,7-dimethyl-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
- 463543
- ChEMBL
CHEMBL342103- Nikkaji
- J597.718E
性质
结构计算性质
- XLogP
- 2.2
- 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
- 375
相关反应
3 条
化合物笔记
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