Iganidipine
HIT212671903
sdf文件结构编辑类似物检索
HIT ID: HIT212671903
Cas No: 119687-33-1
分子式: C28H38N4O6
分子量: 526.634
常用名: Iganidipine
氢键受体数 (HBA): 7
氢键供体数 (HBD): 1
LogP: 3.444143
IUPAC: 3-{2,2-dimethyl-3-[4-(prop-2-en-1-yl)piperazin-1-yl]propyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC: 3-{2,2-dimethyl-3-[4-(prop-2-en-1-yl)piperazin-1-yl]propyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SMILES: COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCC(C)(C)CN1CCN(CC=C)CC1 |c:4,9|
SMILES: COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCC(C)(C)CN1CCN(CC=C)CC1 |c:4,9|
InChI key: QBTSPDQKRVMTRU-UHFFFAOYSA-N
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