Irbesartan-d4
HIT212672360
sdf文件结构编辑类似物检索
HIT ID: HIT212672360
Cas No: 1216883-23-6
分子式: C25H28N6O
分子量: 432.564
常用名: Irbesartan-d4
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 4.468491
IUPAC: 2-butyl-3-{[2'-(1H-1,2,3,4-tetrazol-5-yl)(2,3,5,6-2H4)-[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one
IUPAC: 2-butyl-3-{[2'-(1H-1,2,3,4-tetrazol-5-yl)(2,3,5,6-2H4)-[1,1'-biphenyl]-4-yl]methyl}-1,3-diazaspiro[4.4]non-1-en-4-one
SMILES: [2H]c1c([2H])c(c([2H])c([2H])c1CN1C(CCCC)=NC2(CCCC2)C1=O)-c1ccccc1-c1nnn[nH]1 |c:17|
SMILES: [2H]c1c([2H])c(c([2H])c([2H])c1CN1C(CCCC)=NC2(CCCC2)C1=O)-c1ccccc1-c1nnn[nH]1 |c:17|
InChI key: YOSHYTLCDANDAN-WQKXEYJYSA-N
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