1-[9-乙基-6-[2-甲基-4-[(四氢-2-呋 喃基)甲氧基]苯甲酰基]-9H-咔唑-3- 基]乙酮-1-(O-乙酰基肟)
1-[9-Ethyl-6-[2-methyl-4-[(tetrahydro-2-furanyl)methoxy]benzoyl]-9H-carbazol-3-yl]-1-(O-acetyloxime)ethanone · CAS 785779-13-7
- 中文名
- 1-[9-乙基-6-[2-甲基-4-[(四氢-2-呋 喃基)甲氧基]苯甲酰基]-9H-咔唑-3- 基]乙酮-1-(O-乙酰基肟)
- 中文别名
- 暂无
- 英文名
- 1-[9-Ethyl-6-[2-methyl-4-[(tetrahydro-2-furanyl)methoxy]benzoyl]-9H-carbazol-3-yl]-1-(O-acetyloxime)ethanone
- CAS
- 785779-13-7
- CID
- 59259626
- IUPAC 名称
- [(E)-1-[9-ethyl-6-[2-methyl-4-(oxolan-2-ylmethoxy)benzoyl]carbazol-3-yl]ethylideneamino] acetate
名称与编号
- 中文名
- 1-[9-乙基-6-[2-甲基-4-[(四氢-2-呋 喃基)甲氧基]苯甲酰基]-9H-咔唑-3- 基]乙酮-1-(O-乙酰基肟)
- 中文别名
- 暂无
- 英文名
- 1-[9-Ethyl-6-[2-methyl-4-[(tetrahydro-2-furanyl)methoxy]benzoyl]-9H-carbazol-3-yl]-1-(O-acetyloxime)ethanone
- CAS
- 785779-13-7
- CID
- 59259626
- IUPAC 名称
- [(E)-1-[9-ethyl-6-[2-methyl-4-(oxolan-2-ylmethoxy)benzoyl]carbazol-3-yl]ethylideneamino] acetate
分子属性
- 分子式
- C31H32N2O5
- 分子量
- 512.6 g/mol
- 精确质量
- 512.23112213 Da
- 单同位素质量
- 512.23112213 Da
- XLogP
- 5.8
- 极性表面积
- 79.1 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 9
- 重原子数
- 38
- 净电荷
- 0
- 结构复杂度
- 876
结构标识
- InChIKey
- KBDSIMFAWGSPRX-UZWMFBFFSA-N
- SMILES
- CCN1C2=C(C=C(C=C2)/C(=N/OC(=O)C)/C)C3=C1C=CC(=C3)C(=O)C4=C(C=C(C=C4)OCC5CCCO5)C
- InChI
- InChI=1S/C31H32N2O5/c1-5-33-29-12-8-22(20(3)32-38-21(4)34)16-27(29)28-17-23(9-13-30(28)33)31(35)26-11-10-24(15-19(26)2)37-18-25-7-6-14-36-25/h8-13,15-17,25H,5-7,14,18H2,1-4H3/b32-20+