Ethyl 2-({[2-(5-chloro-2-thienyl)-4-quinolinyl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
기본 정보
- CAS
438463-66-2- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)sc(C(=O)N(C)C)c1C- InChIKey
MTTMPHDMDCUJPI-UHFFFAOYSA-N- 분자식
- C25H22ClN3O4S2
- 평균 분자량
- 528 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-({[2-(5-chloro-2-thienyl)-4-quinolinyl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
- IUPAC
- ethyl 2-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
- 영어명
- ethyl 2-({[2-(5-chloro-2-thienyl)-4-quinolinyl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
- 분자식
- C25H22ClN3O4S2
- 분자량
- 528.04288
이름 및 동의어
ethyl 2-({[2-(5-chloro-2-thienyl)-4-quinolinyl]carbonyl}amino)-5-[(dimethylamino)carbonyl]-4-methyl-3-thiophenecarboxylateSMR000159430Oprea1_468399MLS000545593STK420961AKOS003273422ethyl 2-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylateAK-968/13147904ETHYL 2-({[2-(5-CHLORO-2-THIENYL)-4-QUINOLYL]CARBONYL}AMINO)-5-[(DIMETHYLAMINO)CARBONYL]-4-METHYL-3-THIOPHENECARBOXYLATEethyl 2-({[2-(5-chlorothiophen-2-yl)quinolin-4-yl]carbonyl}amino)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
데이터베이스 식별자
- CAS
438463-66-2
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 145 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 803
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