2-Mercaptomethyl-3,5-dicarboetoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

HCID 11675833

기본 정보

표준 SMILES
CCOC(=O)C1=C(C)NC(CS)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1
InChIKey
MEVHWDXEYXJOCX-UHFFFAOYSA-N
분자식
C19H22N2O6S
평균 분자량
406.5 g/mol
단동위원소 질량
406.1198576

이름 및 식별자

우선 이름
2-Mercaptomethyl-3,5-dicarboetoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine
IUPAC
diethyl 2-methyl-4-(3-nitrophenyl)-6-(sulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

이름 및 동의어

SCHEMBL7286872MEVHWDXEYXJOCX-UHFFFAOYSA-N2-mercaptomethyl-3,5-dicarboethoxy-4-(m-nitrophenyl) -6-methyl-1,4-dihydropyridine2-mercaptomethyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1, 4-dihydropyridine2-mercaptomethyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine2-mercaptomethyl-3,5-dicarboetoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-2-mercaptomethyl-1,4-dihydropyridine3,5-dicarboethoxy-6-methyl-2-(mercaptome-thyl) -4-(m-nitrophenyl)-1,4-dihydropyridine3,5-dicarboethoxy-6-methyl-2-mercaptomethyl-4-(m-nitrophenyl)-1,4-dihydropyridine

데이터베이스 식별자

PubChem CID
11675833

물성

구조 계산 물성

XLogP
3
극성 표면적
111 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
8
무거운 원자 수
28

관련 반응

20건

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