methyl 2-({[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
기본 정보
- CAS
5701-99-5- 표준 SMILES
COC(=O)c1c(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)sc2c1CCCCC2- InChIKey
PIYLNYZIAMNXCQ-UHFFFAOYSA-N- 분자식
- C29H28N2O3S
- 평균 분자량
- 484.6 g/mol
- 단동위원소 질량
- 484.18206393
이름 및 식별자
- 우선 이름
- methyl 2-({[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- IUPAC
- methyl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
이름 및 동의어
5701-99-5ST50913371DTXSID20366736STK427970AKOS003251473methyl 2-({[2-(2,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylatemethyl 2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylatemethyl 2-({[2-(2,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateMethyl 2-[2-(2,4-dimethylphenyl)quinoline-4-carboxamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylatemethyl 2-{[2-(2,4-dimethylphenyl)-4-quinolyl]carbonylamino}-4,5,6,7,8-pentahyd rocyclohepta[2,1-b]thiophene-3-carboxylate
데이터베이스 식별자
- CAS
5701-99-5- PubChem CID
- 2162654
- DTXSID
DTXSID20366736
물성
구조 계산 물성
- XLogP
- 7.6
- 극성 표면적
- 96.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 762
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