기본 정보
- 표준 SMILES
CC1=C(c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2C)CCC[C@H]1O- InChIKey
UJZUEOHJCGKSSY-AREMUKBSSA-N- 분자식
- C27H28N2O2
- 평균 분자량
- 412.5 g/mol
이름 및 식별자
- 우선 이름
- (10, 11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[4-((3R)-3-hydroxy-2-methyl-cyclohex-1-en-1-yl)-3-methyl-phenyl]-methanone
- IUPAC
- 6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-[(3R)-3-hydroxy-2-methylcyclohexen-1-yl]-3-methylphenyl]methanone
이름 및 동의어
SCHEMBL5106769UJZUEOHJCGKSSY-AREMUKBSSA-N(10, 11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[4-((3R)-3-hydroxy-2-methyl-cyclohex-1-en-1-yl)-3-methyl-phenyl]-methanone(10,11 -dihydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[4-((3r)-3-hydroxy-2-methyl-cyclohex-1-en-1-yl)-3-methyl-phenyl]-methanone(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[4-((3R)-3-hydroxy-2-methyl-cyclohex -1-en-1-yl)-3-methyl-phenyl]-methanone(10,11-Dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-10-yl)-[4-((3R)-3-hydroxy-2-methyl-cyclohex-1-en-1-yl)-3-methyl-phenyl]-methanone
데이터베이스 식별자
- PubChem CID
- 69313729
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 45.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 703
관련 반응
6건
화합물 노트
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