기본 정보
- CAS
494218-94-9- 표준 SMILES
CCOC(=O)c1c(NC(=S)NC(=O)c2cnn(CC)c2)sc2c1CCC(C)C2- InChIKey
VCVJBNILDPOYGP-UHFFFAOYSA-N- 분자식
- C19H24N4O3S2
- 평균 분자량
- 420.6 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-[({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 2-[({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C19H24N4O3S2
- 분자량
- 420.54886
이름 및 동의어
ethyl 2-[({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateMLS000324833CHEMBL1562221HMS2349F09STK317668AKOS003984658ethyl 2-[(1-ethylpyrazole-4-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateSMR000159869AK-968/41024985494218-94-9ethyl 2-({[(1-ethyl-1H-pyrazol-4-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-(3-(1-ethyl-1H-pyrazole-4-carbonyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
데이터베이스 식별자
- CAS
494218-94-9- ChEMBL
CHEMBL1562221
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 606
화학 및 산업
공급사1 곳
SPECS[email protected]
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