기본 정보
- CAS
5478-25-1- 표준 SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(Cl)c(Cl)c1- InChIKey
JZEGZNNTOQMALZ-UHFFFAOYSA-N- 분자식
- C19H19Cl2NO3
- 평균 분자량
- 380.3 g/mol
- 단동위원소 질량
- 379.0741989
이름 및 식별자
- 우선 이름
- Ethyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- ethyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
이름 및 동의어
5478-25-1ST50001850ethyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateOprea1_031060Oprea1_061481DTXSID50385910MFCD00619433STK061752AKOS000653175AKOS022079998ethyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateZINC000004759914
이름 더 보기
ZINC000013286629AB00086528-01CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Cl)Cl)C(=O)CCC2CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)Cl)Cl)C(=O)CCC2)Cethyl4(34dichlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylateethyl4(34dichlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylateethyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateethyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-ca rboxylate
데이터베이스 식별자
- CAS
5478-25-1- PubChem CID
- 2848304
- DTXSID
DTXSID50385910
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 55.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 641
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