(6S)-5-Cyano-6-[4-cyano-2-(methylsulfonyl)phenyl]-N-[2-hydroxy-1-(hydroxymethyl)ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-1(2H)-carboxamide
기본 정보
- 표준 SMILES
CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(C)(=O)=O)N(C(=O)NC(CO)CO)C(=O)N1c1cccc(C(F)(F)F)c1- InChIKey
ONEYODYRXYUXQW-JOCHJYFZSA-N- 분자식
- C25H22F3N5O6S
- 평균 분자량
- 577.5 g/mol
- 단동위원소 질량
- 577.1242891
이름 및 식별자
- 우선 이름
- (6S)-5-Cyano-6-[4-cyano-2-(methylsulfonyl)phenyl]-N-[2-hydroxy-1-(hydroxymethyl)ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-1(2H)-carboxamide
- IUPAC
- (4S)-5-cyano-4-(4-cyano-2-methylsulfonylphenyl)-N-(1,3-dihydroxypropan-2-yl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-3-carboxamide
이름 및 동의어
(6S)-5-Cyano-6-[4-cyano-2-(methylsulfonyl)phenyl]-N-[2-hydroxy-1-(hydroxymethyl)ethyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-1(2H)-carboxamideSCHEMBL125604
데이터베이스 식별자
- PubChem CID
- 42642362
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 183 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,230
관련 반응
1건
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