Name: Velneperit
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212653292
Cas No:342577-38-2
常用名:Velneperit
别名:韦利贝特, S2367
IUPAC:(1r,4r)-4-(2-methylpropane-2-sulfonamido)-N-[5-(trifluoromethyl)pyridin-2-yl]cyclohexane-1-carboxamide
IUPAC:(1r,4r)-4-(2-methylpropane-2-sulfonamido)-N-[5-(trifluoromethyl)pyridin-2-yl]cyclohexane-1-carboxamide
InChI key:WGEWUYACXPEFPO-AULYBMBSSA-N

分子式:C17H24F3N3O3S
分子量:407.45
氢键供体数 (HBD):2
氢键受体数 (HBA):4
LogP:2.9099045
SMILES:CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cn1)C(F)(F)F |wU:11.14,wD:8.7,(8,-18.48,;6.67,-17.71,;5.9,-19.04,;7.44,-16.38,;5.33,-16.94,;4.56,-18.27,;6.1,-15.61,;4,-16.17,;4,-14.63,;5.33,-13.86,;5.33,-12.32,;4,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-10.01,;5.33,-9.24,;2.67,-9.24,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-3.08,;2.67,-1.54,;1.13,-3.08,;4.21,-3.08,)|
SMILES:CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cn1)C(F)(F)F |wU:11.14,wD:8.7,(8,-18.48,;6.67,-17.71,;5.9,-19.04,;7.44,-16.38,;5.33,-16.94,;4.56,-18.27,;6.1,-15.61,;4,-16.17,;4,-14.63,;5.33,-13.86,;5.33,-12.32,;4,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-10.01,;5.33,-9.24,;2.67,-9.24,;2.67,-7.7,;1.33,-6.93,;1.33,-5.39,;2.67,-4.62,;4,-5.39,;4,-6.93,;2.67,-3.08,;2.67,-1.54,;1.13,-3.08,;4.21,-3.08,)|

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