Ethyl 1-methyl-5-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazole-3-carboxylate
기본 정보
- CAS
512808-89-8- 표준 SMILES
CCCOC(=O)c1c(NC(=O)c2cc(C(=O)OCC)nn2C)sc2c1CCCC2- InChIKey
BIDYUPGUGHOCMN-UHFFFAOYSA-N- 분자식
- C20H25N3O5S
- 평균 분자량
- 419.5 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 1-methyl-5-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazole-3-carboxylate
- IUPAC
- ethyl 1-methyl-5-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazole-3-carboxylate
- 영어명
- ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylate
- 분자식
- C20H25N3O5S
- 분자량
- 419.4946
이름 및 동의어
ethyl 1-methyl-5-({[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-1H-pyrazole-3-carboxylateOprea1_232271STK956070AKOS003985766ethyl 1-methyl-5-[(3-propoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]pyrazole-3-carboxylateAK-968/41169876512808-89-8ethyl 1-methyl-5-((3-(propoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)-1H-pyrazole-3-carboxylateETHYL 1-METHYL-5-({[3-(PROPOXYCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]AMINO}CARBONYL)-1H-PYRAZOLE-3-CARBOXYLATEethyl 1-methyl-5-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-1H-pyrazole-3-carboxylate
데이터베이스 식별자
- CAS
512808-89-8
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 619
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