2-(Phenylthio)methyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

HCID 19831187

기본 정보

표준 SMILES
CCOC(=O)C1=C(C)NC(CSc2ccccc2)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1
InChIKey
SGMXPCFLPAJHLS-UHFFFAOYSA-N
분자식
C25H26N2O6S
평균 분자량
482.5 g/mol

이름 및 식별자

우선 이름
2-(Phenylthio)methyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine
IUPAC
diethyl 2-methyl-4-(3-nitrophenyl)-6-(phenylsulfanylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate

이름 및 동의어

SCHEMBL7462203SGMXPCFLPAJHLS-UHFFFAOYSA-N2-(phenylthio) methyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine2-(phenylthio)methyl-3, 5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine2-(phenylthio)methyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1, 4-dihydropyridine2-(phenylthio)methyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

데이터베이스 식별자

PubChem CID
19831187

물성

구조 계산 물성

XLogP
4.9
극성 표면적
136 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
10
무거운 원자 수
34

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