기본 정보
- 표준 SMILES
Cc1cc(C(=O)N2Cc3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)n3Cc3ccccc32)ccc1-c1ccccc1C(F)(F)F- InChIKey
ASAAZHPBQCONJU-UHFFFAOYSA-N- 분자식
- C37H37F3N4O4
- 평균 분자량
- 658.7 g/mol
이름 및 식별자
- 우선 이름
- 4-[[10,11-Dihydro-10-[[2-methyl-2'-trifluoromethyl[1,1'-biphenyl]-4-yl]carbonyl]-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]carbonyl]-1-piperazine-carboxylic acid, tert-butyl ester
- IUPAC
- tert-butyl 4-[5-[3-methyl-4-[2-(trifluoromethyl)phenyl]benzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carbonyl]piperazine-1-carboxylate
이름 및 동의어
4-[[10,11-Dihydro-10-[[2-methyl-2'-trifluoromethyl[1,1'-biphenyl]-4-yl]carbonyl]-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]carbonyl]-1-piperazine-carboxylic acid, tert-butyl ester4-[[10,11-Dihydro-10-[[2-methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl]carbonyl]-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]carbonyl]-1-piperazine carboxylic acid, tert-butyl ester4-[[10,11-dihydro-10-[[2-methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl]carbonyl]-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]carbonyl]-1-piperazine-carboxylic acid, tert-butyl ester4-[[10,11-Dihydro-10-[[2-methyl-2'-trifluoromethyl[1,1'-biphenyl]-4-yl]carbonyl]-5H -pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]carbonyl]-1-piperazine-carboxylic acid, tert-butyl ester4-[[10,11-dihydro-10-[[2-methyl-2'-trifluoromethyl[1,1'-biphenyl]-4-yl]carbonyl]-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]carbonyl]-1-piperazine carboxylic acid, tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 10146336
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 75.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 1,170
관련 반응
4건
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