기본 정보
- CAS
494217-89-9- 표준 SMILES
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)sc2c1CCCCC2- InChIKey
ZYZFHTVFZOJSFO-UHFFFAOYSA-N- 분자식
- C22H23ClN4O4S2
- 평균 분자량
- 507 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)carbothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- 영어명
- ethyl 2-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)carbothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- 분자식
- C22H23ClN4O4S2
- 분자량
- 507.02542
이름 및 동의어
ethyl 2-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)carbothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateSMR000159861MLS000324851CHEMBL1547356HMS2338N19STK968594AKOS004013153ethyl 2-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateAK-968/41024569494217-89-9ETHYL 2-({[({5-[(4-CHLORO-1H-PYRAZOL-1-YL)METHYL]-2-FURYL}CARBONYL)AMINO]CARBOTHIOYL}AMINO)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATEethyl 2-(3-(5-((4-chloro-1H-pyrazol-1-yl)methyl)furan-2-carbonyl)thioureido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
이름 더 보기
ethyl 2-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-yl}carbonyl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 159 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 733
화학 및 산업
공급사1 곳
SPECS[email protected]
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