Ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
기본 정보
- CAS
438197-79-6- 표준 SMILES
CCCCc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(=O)OCC)CCC(C)C4)c3cc(Br)ccc3n2)cc1- InChIKey
LAGJYVLUDVBWNB-UHFFFAOYSA-N- 분자식
- C32H33BrN2O3S
- 평균 분자량
- 605.6 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C32H33BrN2O3S
- 분자량
- 605.58502
이름 및 동의어
ethyl 2-({[6-bromo-2-(4-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-({[6-bromo-2-(4-butylphenyl)quinolin-4-yl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAK-968/41017181STK429031AKOS003289969AKOS022150538ethyl 2-[[6-bromo-2-(4-butylphenyl)quinoline-4-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateST50828893438197-79-6ethyl 2-(6-bromo-2-(4-butylphenyl)quinoline-4-carboxamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateethyl 2-{[6-bromo-2-(4-butylphenyl)(4-quinolyl)]carbonylamino}-6-methyl-4,5,6, 7-tetrahydrobenzo[b]thiophene-3-carboxylate
데이터베이스 식별자
- CAS
438197-79-6
물성
구조 계산 물성
- XLogP
- 9.7
- 극성 표면적
- 96.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 836
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