기본 정보
- CAS
351520-64-4- 표준 SMILES
CCOC(=O)c1sc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(C(=O)OCC)c1C- InChIKey
SIIFXYKQCHVFEQ-UHFFFAOYSA-N- 분자식
- C18H22N4O7S
- 평균 분자량
- 438.5 g/mol
- 단동위원소 질량
- 438.12092023
이름 및 식별자
- 우선 이름
- Diethyl 5-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
- IUPAC
- diethyl 5-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
- 영어명
- diethyl 5-[({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate
- 분자식
- C18H22N4O7S
- 분자량
- 438.45
이름 및 동의어
diethyl 5-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylatediethyl 5-[({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylateChemDiv1_001189HMS590G01STK342590AKOS000561120ST50001181AG-690/36159043SR-01000408941SR-01000408941-1351520-64-4diethyl 5-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamido)-3-methylthiophene-2,4-dicarboxylate
이름 더 보기
2,4-Thiophenedicarboxylic acid, 5-[[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino]-3-methyl-, 2,4-diethyl ester
diethyl 5-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]amino}-3-methylthiophene-2,4-dicarboxylateethyl 2-[2-(3,5-dimethyl-4-nitropyrazolyl)acetylamino]-5-(ethoxycarbonyl)-4-me thylthiophene-3-carboxylate
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 174 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 673
화학 및 산업
공급사3 곳
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