기본 정보
- CAS
512808-86-5- 표준 SMILES
CCOC(=O)c1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)n(C)n1- InChIKey
MUUYAZHQVVYWOJ-UHFFFAOYSA-N- 분자식
- C17H20N4O4S
- 평균 분자량
- 376.4 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
- IUPAC
- ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
- 영어명
- ethyl 5-({[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-3-carboxylate
- 분자식
- C17H20N4O4S
- 분자량
- 376.4301
이름 및 동의어
ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methyl-1H-pyrazole-3-carboxylateOprea1_706627STK956066AKOS003764241ethyl 5-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-1-methylpyrazole-3-carboxylateST088840AK-968/41169861512808-86-5ethyl 5-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)-1-methyl-1H-pyrazole-3-carboxylateethyl 5-({[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1-methyl-1H-pyrazole-3-carboxylateETHYL 5-({[3-(AMINOCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]AMINO}CARBONYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLATEethyl 5-[N-(3-carbamoyl(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))carbamoyl]-1- methylpyrazole-3-carboxylate
데이터베이스 식별자
- CAS
512808-86-5
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 145 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 575
화학 및 산업
공급사1 곳
SPECS[email protected]
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