Diethyl 2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

HCID 3064723

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기본 정보

CAS
105435-14-1
표준 SMILES
CCOC(=O)C1=C(C)NC(CCl)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1
InChIKey
BQZUKPLXYKHMHX-UHFFFAOYSA-N
분자식
C19H21ClN2O6
평균 분자량
408.8 g/mol
단동위원소 질량
408.10881407

이름 및 식별자

우선 이름
Diethyl 2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC
diethyl 2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

이름 및 동의어

105435-14-1DTXSID90909533diethyl 2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateRefChem:1083479DTXCID2013385952-Chloromethyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine3,5-Pyridinecarboxylic acid, 1,4-dihydro-2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-, diethyl esterSCHEMBL6590571BQZUKPLXYKHMHX-UHFFFAOYSA-N2-chloromethyl-3,5-dicarboethoxy-4-(m-nitrophenyl) -6-methyl-1,4-dihydropyridine2-chloromethyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1, 4-dihydropyridine2-chlorometyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

데이터베이스 식별자

CAS
105435-14-1
PubChem CID
3064723
DTXSID
DTXSID90909533
ChEMBL
CHEMBL1094406

물성

구조 계산 물성보충 중

XLogP
3.3
극성 표면적
110 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
8
무거운 원자 수
28

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