기본 정보
- CAS
355804-98-7- 표준 SMILES
Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(N)=O)CCC(C)C2- InChIKey
NVMLWVRPOKXNPC-UHFFFAOYSA-N- 분자식
- C16H18ClN5O4S
- 평균 분자량
- 411.9 g/mol
이름 및 식별자
- 우선 이름
- 2-[[2-(4-Chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- IUPAC
- 2-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- 영어명
- 2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- 분자식
- C16H18ClN5O4S
- 분자량
- 411.86
이름 및 동의어
2-[({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideOprea1_185130Oprea1_264847STL329692AKOS000556756AKOS0221255802-[[2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideAK-968/12269005SR-01000315500SR-01000315500-12-(2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide2-{[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
이름 더 보기
1H-Pyrazole-1-acetamide, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-6-methylbenzo[b]thien-2-yl]-4-chloro-5-methyl-3-nitro-
2-{[2-(4-CHLORO-5-METHYL-3-NITRO-1H-PYRAZOL-1-YL)ACETYL]AMINO}-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 164 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 620
물리화학적 성질
- 끓는 점
- 630.6 · 630.6±55.0 °C(Predicted)
- 밀도
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.85 · 10.85±0.40(Predicted)
화학 및 산업
공급사3 곳
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