uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05620974
查看![5,11-Dihydro-11-ethyl-2-[(S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one 分子结构式](/api/mol/54501305/svg/360x280.svg)
HCID54501305
5,11-Dihydro-11-ethyl-2-[(S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
2-ethyl-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
C19H23N5O2353.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCN1c2ncccc2C(=O)Nc2c(C)cc(N3CCC[C@H]3CO)nc21
- InChIKey
- YCPSFOGPBVRRQM-ZDUSSCGKSA-N
- 分子式
- C19H23N5O2
- 平均分子量
- 353.4 g/mol
- 单同位素质量
- 353.18517499
COMPUTED
结构计算性质
- XLogP
- 2.1
- 极性表面积
- 81.6 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 3
- 重原子
- 26
- 形式电荷
- 0
- 复杂度
- 518
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL8888849YCPSFOGPBVRRQM-ZDUSSCGKSA-N5,11-Dihydro-11-ethyl-2-[(S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
REACTIONS
参与反应
uspto-grants-1994_11 · 10.6084/m9.figshare.5104873.v1 · US05366972
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