1,4-Dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylic acid diethyl ester
기본 정보
- CAS
23191-75-5- 표준 SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1C(F)(F)F- InChIKey
ACZJZGLXRPZSLI-UHFFFAOYSA-N- 분자식
- C20H22F3NO4
- 평균 분자량
- 397.4 g/mol
- 단동위원소 질량
- 397.15009267
이름 및 식별자
- 우선 이름
- 1,4-Dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylic acid diethyl ester
- IUPAC
- diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
이름 및 동의어
1,4-Dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylic acid diethyl esterRefChem:9069742,6-dimethyl-3,5-dicarbethoxy-4-(trifluoromethylphenyl)-1,4-dihydropyridineFtorin23191-75-54-(2-Trifluoromethylphenyl)-3,5-dicarbethoxy-2,6-dimethyl-1,4-dihydropyridineSKF 24260SK&F 24260diethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylateV2DA3S07WI3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-, diethyl esterFtorin (pharmaceutical)
이름 더 보기
3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-3,5-pyridinedicarboxylatediethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-3,5-pyridinedicarboxylateBRN 0500244SKF-24260UNII-V2DA3S07WI2,6-Dimethyl-3,5-dicarbomethoxy-4-(o-trifluoromethylphenyl)-1,4-dihydropyridine [French]CHEMBL346128SCHEMBL7431826
데이터베이스 식별자
- CAS
23191-75-5- PubChem CID
- 168089
- DTXSID
DTXSID00177766- ChEMBL
CHEMBL346128- UNII
- V2DA3S07WI
- Nikkaji
- J23.571G
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 64.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 641
관련 반응
16건
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