Isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
기본 정보
- CAS
522596-81-2- 표준 SMILES
CCOc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(=O)OC(C)C)CCC(CC)C4)c3cc(C)ccc3n2)cc1- InChIKey
SUCACHWBHGXGMG-UHFFFAOYSA-N- 분자식
- C33H36N2O4S
- 평균 분자량
- 556.7 g/mol
이름 및 식별자
- 우선 이름
- Isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- propan-2-yl 2-[[2-(4-ethoxyphenyl)-6-methylquinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C33H36N2O4S
- 분자량
- 556.71494
이름 및 동의어
isopropyl 2-({[2-(4-ethoxyphenyl)-6-methyl-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylatepropan-2-yl 2-({[2-(4-ethoxyphenyl)-6-methylquinolin-4-yl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAK-968/41923382STK449982AKOS003290045AKOS022156348propan-2-yl 2-[[2-(4-ethoxyphenyl)-6-methylquinoline-4-carbonyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateST50832568522596-81-2isopropyl 2-(2-(4-ethoxyphenyl)-6-methylquinoline-4-carboxamido)-6-ethyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylatemethylethyl 2-{[2-(4-ethoxyphenyl)-6-methyl(4-quinolyl)]carbonylamino}-6-ethyl -4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
데이터베이스 식별자
- CAS
522596-81-2
물성
구조 계산 물성
- XLogP
- 8.8
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 861
관련 반응
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