4-Nitrophenyl (6S)-5-cyano-6-[4-cyano-2-(methylsulfonyl)phenyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-1(2H)-carboxylate

HCID 66601763

기본 정보

표준 SMILES
CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(C)(=O)=O)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIKey
DKHZVSDSIYLPES-RUZDIDTESA-N
분자식
C28H18F3N5O7S
평균 분자량
625.5 g/mol

이름 및 식별자

우선 이름
4-Nitrophenyl (6S)-5-cyano-6-[4-cyano-2-(methylsulfonyl)phenyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-1(2H)-carboxylate
IUPAC
(4-nitrophenyl) (4S)-5-cyano-4-(4-cyano-2-methylsulfonylphenyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-3-carboxylate

이름 및 동의어

4-Nitrophenyl (6S)-5-cyano-6-[4-cyano-2-(methylsulfonyl)phenyl]-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-1(2H)-carboxylateSCHEMBL123024

데이터베이스 식별자

PubChem CID
66601763

물성

구조 계산 물성

XLogP
4.2
극성 표면적
186 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
12
회전 가능 결합 수
5
무거운 원자 수
44

관련 반응

19건

화합물 노트

불러오는 중…