ethyl 5-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-4-cyano-3-methyl-2-thiophenecarboxylate
기본 정보
- CAS
515849-69-1- 표준 SMILES
CCOC(=O)c1sc(NC(=O)c2nn(CC)cc2Br)c(C#N)c1C- InChIKey
BZULWZGAXVOGBQ-UHFFFAOYSA-N- 분자식
- C15H15BrN4O3S
- 평균 분자량
- 411.3 g/mol
이름 및 식별자
- 우선 이름
- ethyl 5-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-4-cyano-3-methyl-2-thiophenecarboxylate
- IUPAC
- ethyl 5-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
- 영어명
- ethyl 5-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-4-cyano-3-methyl-2-thiophenecarboxylate
- 분자식
- C15H15BrN4O3S
- 분자량
- 411.2736
이름 및 동의어
ethyl 5-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-4-cyano-3-methyl-2-thiophenecarboxylateCCG-24857STK915712AKOS003979148ethyl 5-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylateAK-968/41022891SR-01000086520SR-01000086520-1515849-69-1ethyl 5-(4-bromo-1-ethyl-1H-pyrazole-3-carboxamido)-4-cyano-3-methylthiophene-2-carboxylateethyl 5-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-4-cyano-3-methylthiophene-2-carboxylate
데이터베이스 식별자
- CAS
515849-69-1
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 540
관련 반응
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