(S)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-3-(2-methoxyphenyl)-8-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxamide
기본 정보
- 표준 SMILES
CNC(=O)[C@@H](NC(=O)c1nc(-c2ccccc2OC)n2c1CN(C)CCC2)C(C)(C)C- InChIKey
SWNBIGZYFQLFHY-LJQANCHMSA-N- 분자식
- C23H33N5O3
- 평균 분자량
- 427.5 g/mol
- 단동위원소 질량
- 427.25833993
이름 및 식별자
- 우선 이름
- (S)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-3-(2-methoxyphenyl)-8-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxamide
- IUPAC
- N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-methoxyphenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
이름 및 동의어
SCHEMBL1174721SWNBIGZYFQLFHY-LJQANCHMSA-N(S)-N-(3 3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-3-(2-methoxyphenyl)-8-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxamide(S)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-3-(2-methoxyphenyl)-8-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1-carboxamide(S)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-3-(2-methoxyphenyl)-8-methyl-6,7,8,9-tetrahydro-5H-imidazol[1,5-a][1,4]diazepine-1-carboxamide
데이터베이스 식별자
- PubChem CID
- 57635134
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 88.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 637
관련 반응
3건
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