Ethyl 5-(diethylcarbamoyl)-2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate
기본 정보
- CAS
549475-23-2- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)sc(C(=O)N(CC)CC)c1C- InChIKey
DGLWFIHSAHZHHE-UHFFFAOYSA-N- 분자식
- C31H33N3O4S
- 평균 분자량
- 543.7 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 5-(diethylcarbamoyl)-2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate
- IUPAC
- ethyl 5-(diethylcarbamoyl)-2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylate
- 영어명
- ethyl 5-[(diethylamino)carbonyl]-2-({[2-(3,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate
- 분자식
- C31H33N3O4S
- 분자량
- 543.67642
이름 및 동의어
ethyl 5-(diethylcarbamoyl)-2-({[2-(3,4-dimethylphenyl)quinolin-4-yl]carbonyl}amino)-4-methylthiophene-3-carboxylateOprea1_127466STK433104AKOS003252484ethyl 5-(diethylcarbamoyl)-2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-methylthiophene-3-carboxylateST50915150AK-968/11990366549475-23-2ethyl 5-(diethylcarbamoyl)-2-(2-(3,4-dimethylphenyl)quinoline-4-carboxamido)-4-methylthiophene-3-carboxylateethyl 5-(N,N-diethylcarbamoyl)-2-{[2-(3,4-dimethylphenyl)(4-quinolyl)]carbonyl amino}-4-methylthiophene-3-carboxylateethyl 5-[(diethylamino)carbonyl]-2-({[2-(3,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4-methyl-3-thiophenecarboxylate
데이터베이스 식별자
- CAS
549475-23-2
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 867
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