3-Pyridinecarboxylic acid, 2-amino-5-cyano-1,4-dihydro-6-methyl-4-(3-phenyl-5-quinolinyl)-, 1-methylethyl ester, (4R)-
기본 정보
- CAS
146136-94-9- 표준 SMILES
CC1=C(C#N)[C@@H](c2cccc3ncc(-c4ccccc4)cc23)C(C(=O)OC(C)C)=C(N)N1- InChIKey
PHJVBZVDUNTGNR-HSZRJFAPSA-N- 분자식
- C26H24N4O2
- 평균 분자량
- 424.5 g/mol
- 단동위원소 질량
- 424.18992602
이름 및 식별자
- 우선 이름
- 3-Pyridinecarboxylic acid, 2-amino-5-cyano-1,4-dihydro-6-methyl-4-(3-phenyl-5-quinolinyl)-, 1-methylethyl ester, (4R)-
- IUPAC
- propan-2-yl (4R)-2-amino-5-cyano-6-methyl-4-(3-phenylquinolin-5-yl)-1,4-dihydropyridine-3-carboxylate
이름 및 동의어
BAY-y-5959146136-94-906CIX2UQI13-Pyridinecarboxylic acid, 2-amino-5-cyano-1,4-dihydro-6-methyl-4-(3-phenyl-5-quinolinyl)-, 1-methylethyl ester, (4R)-UNII-06CIX2UQI1propan-2-yl (4R)-2-amino-5-cyano-6-methyl-4-(3-phenylquinolin-5-yl)-1,4-dihydropyridine-3-carboxylate3-Pyridinecarboxylic acid, 2-amino-5-cyano-1,4-dihydro-6-methyl-4-(3-phenyl-5-quinolinyl)-, 1-methylethyl ester, (R)-Isopropyl 2-amino-5-cyano-1,4-dihydro-6-methyl-4-(3-phenyl-quinoline-5-yl)-pyridine-3-carboxylate, L-Bay Y5959orb1701100SCHEMBL6931471DTXSID501111843
이름 더 보기
AKOS040747919isopropyl (R)-2-amino-5-cyano-6-methyl-4-(3-phenylquinolin-5-yl)-1,4-dihydropyridine-3-carboxylateHY-106927T267461-Methylethyl (4R)-2-amino-5-cyano-1,4-dihydro-6-methyl-4-(3-phenyl-5-quinolinyl)-3-pyridinecarboxylate
데이터베이스 식별자
- CAS
146136-94-9- PubChem CID
- 9910240
- DTXSID
DTXSID501111843
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 830
관련 반응
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