(S)-tert-butyl 5-((S)-1-(4-chloro-3-fluorophenyl)-2-oxo-2-(4-(5-phenyl-1H-pyrrolo[2,3-b]pyri din-4-yl)piperazin-1-yl)ethyl)-2,2-dimethylpyrrolidine-1-carboxylate
기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1[C@H]([C@@H](C(=O)N2CCN(c3c(-c4ccccc4)cnc4[nH]ccc34)CC2)c2ccc(Cl)c(F)c2)CCC1(C)C- InChIKey
FOGNEODDZRLVIZ-KYJUHHDHSA-N- 분자식
- C36H41ClFN5O3
- 평균 분자량
- 646.2 g/mol
이름 및 식별자
- 우선 이름
- (S)-tert-butyl 5-((S)-1-(4-chloro-3-fluorophenyl)-2-oxo-2-(4-(5-phenyl-1H-pyrrolo[2,3-b]pyri din-4-yl)piperazin-1-yl)ethyl)-2,2-dimethylpyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (5S)-5-[(1S)-1-(4-chloro-3-fluorophenyl)-2-oxo-2-[4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate
이름 및 동의어
SCHEMBL3723099FOGNEODDZRLVIZ-KYJUHHDHSA-N(S)-tert-butyl 5-((S)-1-(4-chloro-3-fluorophenyl)-2-oxo-2-(4-(5-phenyl-1H-pyrrolo[2,3-b]pyri din-4-yl)piperazin-1-yl)ethyl)-2,2-dimethylpyrrolidine-1-carboxylate(s)-tert-butyl 5-((s)-1-(4-chloro-3-fluorophenyl)-2-oxo-2-(4-(5-phenyl-1h-pyrrolo[2,3-b]pyridin-4-yl)piperazin-1-yl)ethyl)-2,2-dimethylpyrrolidine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 68761234
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 81.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,070
관련 반응
1건
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