Almorexant hydrochloride
HIT212651242
sdf文件结构编辑类似物检索
HIT ID: HIT212651242
Cas No: 913358-93-7
分子式: C29H32ClF3N2O3
分子量: 549.03
常用名: Almorexant hydrochloride
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 5.865653
IUPAC: (2R)-2-[(1S)-6,7-dimethoxy-1-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-2-yl]-N-methyl-2-phenylacetamide hydrochloride
IUPAC: (2R)-2-[(1S)-6,7-dimethoxy-1-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-2-yl]-N-methyl-2-phenylacetamide hydrochloride
SMILES: Cl.CNC(=O)[C@H](N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1
SMILES: Cl.CNC(=O)[C@H](N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(cc1)C(F)(F)F)c1ccccc1
InChI key: BYGBTDRDPBJUBB-LHIMUUITSA-N
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