기본 정보
- CAS
355416-69-2- 표준 SMILES
CCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])cc2C)sc(C)c1C- InChIKey
ACEJDFDKPLXIRT-UHFFFAOYSA-N- 분자식
- C15H18N4O5S
- 평균 분자량
- 366.4 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 4,5-dimethyl-2-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
- IUPAC
- ethyl 4,5-dimethyl-2-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
- 영어명
- ethyl 2-[({3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
- 분자식
- C15H18N4O5S
- 분자량
- 366.39
이름 및 동의어
ethyl 2-[({3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylateCCG-33353STK331180AKOS000560834ethyl 4,5-dimethyl-2-[[2-(5-methyl-3-nitropyrazol-1-yl)acetyl]amino]thiophene-3-carboxylateAK-968/11840007SR-01000550984SR-01000550984-1355416-69-2ethyl 4,5-dimethyl-2-(2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido)thiophene-3-carboxylateethyl 4,5-dimethyl-2-{[(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}thiophene-3-carboxylateETHYL 4,5-DIMETHYL-2-{[2-(5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)ACETYL]AMINO}-3-THIOPHENECARBOXYLATE
이름 더 보기
3-Thiophenecarboxylic acid, 4,5-dimethyl-2-[[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino]-, ethyl ester
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 147 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 529
물리화학적 성질
- 끓는 점
- 578.7 · 578.7±50.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.72 · 10.72±0.46(Predicted)
화학 및 산업
공급사1 곳
SPECS[email protected]
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