rac-2-(3,5-Bis-trifluoromethyl-phenyl)-N-[(3S,4R)-1-(1,1-dioxo-1-thiomorpholine-4-carbonyl)-4-(4-fluoro-phenyl)-pyrrolidin-3-yl]-N-methyl-isobutyramide
기본 정보
- 표준 SMILES
CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)C[C@H]1c1ccc(F)cc1- InChIKey
HUAHZNZWHQDYAC-XZOQPEGZSA-N- 분자식
- C28H30F7N3O4S
- 평균 분자량
- 637.6 g/mol
이름 및 식별자
- 우선 이름
- rac-2-(3,5-Bis-trifluoromethyl-phenyl)-N-[(3S,4R)-1-(1,1-dioxo-1-thiomorpholine-4-carbonyl)-4-(4-fluoro-phenyl)-pyrrolidin-3-yl]-N-methyl-isobutyramide
- IUPAC
- 2-[3,5-bis(trifluoromethyl)phenyl]-N-[(3S,4R)-1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-N,2-dimethylpropanamide
이름 및 동의어
rac-2-(3,5-Bis-trifluoromethyl-phenyl)-N-[(3S,4R)-1-(1,1-dioxo-1-thiomorpholine-4-carbonyl)-4-(4-fluoro-phenyl)-pyrrolidin-3-yl]-N-methyl-isobutyramideSCHEMBL1203849
데이터베이스 식별자
- PubChem CID
- 59840073
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 86.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,100
관련 반응
1건
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