Allyl(rac)-4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

HCID 44133410

기본 정보

표준 SMILES
C=CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)NC1c1ccc(C#N)cc1SC
InChIKey
SZARUXVEBNQBFZ-UHFFFAOYSA-N
분자식
C24H20F3N3O3S
평균 분자량
487.5 g/mol

이름 및 식별자

우선 이름
Allyl(rac)-4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
IUPAC
prop-2-enyl 6-(4-cyano-2-methylsulfanylphenyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

이름 및 동의어

Allyl(rac)-4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylateSCHEMBL172174Allyl (rac)-4-[4-cyano-2-(methylsulfanyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

데이터베이스 식별자

PubChem CID
44133410

물성

구조 계산 물성

XLogP
4.5
극성 표면적
108 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
34

관련 반응

8건

화합물 노트

불러오는 중…