1,4-Dihydro-2,6-dimethyl-4-(2-(trifluoromethyl)phenyl)-3,5-pyridinedicarboxylic acid diethyl ester

HCID 168089CAS 23191-75-5

기본 정보

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
397.15009284

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

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