3-[3,5-Bis(trifluoromethyl)anilino]-4-[[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]amino]cyclobut-3-ene-1,2-dione
3-[3,5-Bis(trifluoromethyl)anilino]-4-[[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]amino]cyclobut-3-ene-1,2-dione · CAS 1407166-63-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3-[3,5-Bis(trifluoromethyl)anilino]-4-[[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]amino]cyclobut-3-ene-1,2-dione
- CAS
- 1407166-63-5
- CID
- 76511734
- IUPAC 名称
- 3-[3,5-bis(trifluoromethyl)anilino]-4-[[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]amino]cyclobut-3-ene-1,2-dione
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3-[3,5-Bis(trifluoromethyl)anilino]-4-[[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]amino]cyclobut-3-ene-1,2-dione
- CAS
- 1407166-63-5
- CID
- 76511734
- IUPAC 名称
- 3-[3,5-bis(trifluoromethyl)anilino]-4-[[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]amino]cyclobut-3-ene-1,2-dione
分子属性
- 分子式
- C32H30F6N4O3
- 分子量
- 632.6 g/mol
- 精确质量
- 632.2222098 Da
- 单同位素质量
- 632.2222098 Da
- XLogP
- 6.8
- 极性表面积
- 83.6 Ų
- 氢键供体
- 2
- 氢键受体
- 13
- 可旋转键
- 8
- 重原子数
- 45
- 净电荷
- 0
- 结构复杂度
- 1140
结构标识
- InChIKey
- OFXKFCTYZMFMJB-UHFFFAOYSA-N
- SMILES
- CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)NC5=C(C(=O)C5=O)NC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F
- InChI
- InChI=1S/C32H30F6N4O3/c1-3-16-15-42-9-7-17(16)10-25(42)26(22-6-8-39-24-5-4-21(45-2)14-23(22)24)41-28-27(29(43)30(28)44)40-20-12-18(31(33,34)35)11-19(13-20)32(36,37)38/h4-6,8,11-14,16-17,25-26,40-41H,3,7,9-10,15H2,1-2H3