Cetirizine D8
HIT212671742
sdf文件结构编辑类似物检索
HIT ID: HIT212671742
Cas No: 774596-22-4
分子式: C21H25ClN2O3
分子量: 396.94
常用名: Cetirizine D8
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 0.8598093
IUPAC: 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl](2,2,3,3,5,5,6,6-2H8)piperazin-1-yl}ethoxy)acetic acid
IUPAC: 2-(2-{4-[(4-chlorophenyl)(phenyl)methyl](2,2,3,3,5,5,6,6-2H8)piperazin-1-yl}ethoxy)acetic acid
SMILES: [2H]C1([2H])N(CCOCC(O)=O)C([2H])([2H])C([2H])([2H])N(C(c2ccccc2)c2ccc(Cl)cc2)C1([2H])[2H]
SMILES: [2H]C1([2H])N(CCOCC(O)=O)C([2H])([2H])C([2H])([2H])N(C(c2ccccc2)c2ccc(Cl)cc2)C1([2H])[2H]
InChI key: ZKLPARSLTMPFCP-BGKXKQMNSA-N
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