Ethyl 2-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
기본 정보
- CAS
494219-45-3- 표준 SMILES
CCOC(=O)c1c(NC(=S)NC(=O)c2c(Br)c(C)nn2C)sc2c1CCC(C)C2- InChIKey
MVCLMJQFLGZFJB-UHFFFAOYSA-N- 분자식
- C19H23BrN4O3S2
- 평균 분자량
- 499.4 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[(4-bromo-1,3-dimethylpyrazole-5-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 2-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C19H23BrN4O3S2
- 분자량
- 499.44492
이름 및 동의어
ethyl 2-({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-[({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateSTK968462AKOS004001381ethyl 2-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAK-968/41025061494219-45-3ethyl 2-(3-(4-bromo-1,3-dimethyl-1H-pyrazole-5-carbonyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
데이터베이스 식별자
- CAS
494219-45-3
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 655
관련 반응
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