기본 정보
- CAS
489407-47-8- 표준 SMILES
CCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)sc(C)c1CC- InChIKey
LSIUTKVTTHJWNR-UHFFFAOYSA-N- 분자식
- C16H19ClN4O5S
- 평균 분자량
- 414.9 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
- IUPAC
- ethyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
- 영어명
- ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate
- 분자식
- C16H19ClN4O5S
- 분자량
- 414.86386
이름 및 동의어
ethyl 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylateSTK315537AKOS003976627ethyl 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylateAK-968/12116653489407-47-8ethyl 2-(2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido)-4-ethyl-5-methylthiophene-3-carboxylateethyl 2-{[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-4-ethyl-5-methylthiophene-3-carboxylateETHYL 2-{[2-(4-CHLORO-5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)ACETYL]AMINO}-4-ETHYL-5-METHYL-3-THIOPHENECARBOXYLATE
데이터베이스 식별자
- CAS
489407-47-8
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 147 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 578
화학 및 산업
공급사1 곳
SPECS[email protected]
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