기본 정보
- CAS
353766-94-6- 표준 SMILES
CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C#N)c1C- InChIKey
HXEHNYSFNSVPOV-UHFFFAOYSA-N- 분자식
- C25H19N3O3S
- 평균 분자량
- 441.5 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 4-cyano-3-methyl-5-{[(2-phenyl-4-quinolinyl)carbonyl]amino}-2-thiophenecarboxylate
- IUPAC
- ethyl 4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylate
- 영어명
- ethyl 4-cyano-3-methyl-5-{[(2-phenyl-4-quinolinyl)carbonyl]amino}-2-thiophenecarboxylate
- 분자식
- C25H19N3O3S
- 분자량
- 441.50166
이름 및 동의어
MLS000543555ethyl 4-cyano-3-methyl-5-{[(2-phenyl-4-quinolinyl)carbonyl]amino}-2-thiophenecarboxylateSMR000159404ethyl 4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylateOprea1_370811CHEMBL1500274BDBM89982cid_1009130HMS2288L13STK418580AKOS003273993MLS-0092719.0001
이름 더 보기
AK-968/12573122ethyl 4-cyano-3-methyl-5-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-2-carboxylateethyl 4-cyano-3-methyl-5-{[(2-phenyl-4-quinolyl)carbonyl]amino}-2-thiophenecarboxylateethyl 4-cyano-3-methyl-5-{[(2-phenylquinolin-4-yl)carbonyl]amino}thiophene-2-carboxylate4-cyano-3-methyl-5-[(2-phenylquinoline-4-carbonyl)amino]thiophene-2-carboxylic acid ethyl ester4-cyano-3-methyl-5-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester
데이터베이스 식별자
- CAS
353766-94-6- ChEMBL
CHEMBL1500274
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 731
화학 및 산업
공급사1 곳
SPECS[email protected]
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