Methyl 4-(4-cyanophenyl)-6-methyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

HCID 57762471

기본 정보

표준 SMILES
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=S)NC1c1ccc(C#N)cc1
InChIKey
VXHKTVCUXTUASI-UHFFFAOYSA-N
분자식
C21H16F3N3O2S
평균 분자량
431.4 g/mol

이름 및 식별자

우선 이름
Methyl 4-(4-cyanophenyl)-6-methyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
IUPAC
methyl 6-(4-cyanophenyl)-4-methyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxylate

이름 및 동의어

Methyl 4-(4-cyanophenyl)-6-methyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateSCHEMBL26785514-(4-Cyanophenyl)-6-methyl-2-thioxo-1-(3-trifluoromethylphenyl)-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester

데이터베이스 식별자

PubChem CID
57762471

물성

구조 계산 물성

XLogP
4
극성 표면적
97.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
4
무거운 원자 수
30

관련 반응

4건

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