uspto-grants-2003_04 · 10.6084/m9.figshare.5104873.v1 · US06544985B2
查看![7-(Cyclopropylmethyl-methyl-amino)-4-[3-(5-hydroxymethyl-[1,2,3]triazol-1-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one 分子结构式](/api/mol/18613173/svg/360x280.svg)
HCID18613173
7-(Cyclopropylmethyl-methyl-amino)-4-[3-(5-hydroxymethyl-[1,2,3]triazol-1-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
7-[cyclopropylmethyl(methyl)amino]-4-[3-[5-(hydroxymethyl)triazol-1-yl]phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one
C24H23F3N6O2484.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CN(CC1CC1)c1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3nncc3CO)c1)=N2
- InChIKey
- IHISLAGMARCMIL-UHFFFAOYSA-N
- 分子式
- C24H23F3N6O2
- 平均分子量
- 484.5 g/mol
- 单同位素质量
- 484.18345848
COMPUTED
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 95.6 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 6
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 807
ALIASES
名称与别名
7-(Cyclopropylmethyl-methyl-amino)-4-[3-(5-hydroxymethyl-[1,2,3]triazol-1-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-oneSCHEMBL6168518
REACTIONS
