기본 정보
- 표준 SMILES
C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)c2ccccc2N(C)C1=O- InChIKey
MQFQHTAWAQYJMY-LBPRGKRZSA-N- 분자식
- C22H22F2N4O4
- 평균 분자량
- 444.4 g/mol
이름 및 식별자
- 우선 이름
- 3-[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1-H-1,5-benzodiazepine
- IUPAC
- (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1,5-dimethyl-2,4-dioxo-1,5-benzodiazepin-3-yl)propanamide
이름 및 동의어
SCHEMBL4422325MQFQHTAWAQYJMY-LBPRGKRZSA-N3-[N'-(3,5-Difluorophenylacetyl)-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1H -1,5-benzodiazepine3-[N'-(3,5-Difluorophenylacetyl)-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine3-[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1-H-1,5-benzodiazepine3-[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine3-[N'-(3,5-Difluorophenylacetyl)-L-alaninyl]amino-2,4dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
데이터베이스 식별자
- PubChem CID
- 22984083
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 98.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 711
관련 반응
10건
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