5-Acetyl-9,9-dimethyl-6-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
基本情報
- CAS
337503-05-6- 標準SMILES
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)C1CC1CC=C(C)C1(C)C- InChIKey
UCEMHUZFLQDYNV-UHFFFAOYSA-N- 分子式
- C26H34N2O2
- 平均分子量
- 406.6 g/mol
名称と識別子
- 優先名称
- 5-Acetyl-9,9-dimethyl-6-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- IUPAC
- 5-acetyl-9,9-dimethyl-6-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
- 英語名
- 10-acetyl-3,3-dimethyl-11-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
- 分子式
- C26H34N2O2
- 分子量
- 406.56
名称と別名
337503-05-65-acetyl-9,9-dimethyl-6-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one10-acetyl-3,3-dimethyl-11-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one10-acetyl-3,3-dimethyl-11-((2,2,3-trimethylcyclopent-3-en-1-yl)methyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneCID 2874637CBMicro_036101Oprea1_159441Oprea1_446730STK138336STL528517AKOS001633865AKOS022077420
名称をさらに表示
1H-Dibenzo[b,e][1,4]diazepin-1-one, 10-acetyl-2,3,4,5,10,11-hexahydro-3,3-dimethyl-11-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
AKOS03749525710-acetyl-3,3-dimethyl-11-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneBIM-0036021.P001EU-0071556AK-968/13146027SR-01000433167SR-01000433167-11-{1-hydroxy-3,3-dimethyl-11-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}ethanone
データベース識別子
- CAS
337503-05-6
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 49.4 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 804
関連反応
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