HIT ID: HIT212671063
Cas No: 845614-12-2
分子式: C21H20F7N3O4S
分子量: 543.46
常用名: Bitopertin (R enantiomer)
氢键受体数 (HBA): 6
氢键供体数 (HBD): 0
LogP: 3.461122
IUPAC: 1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-4-(5-methanesulfonyl-2-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzoyl)piperazine
IUPAC: 1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-4-(5-methanesulfonyl-2-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzoyl)piperazine
SMILES: C[C@@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
SMILES: C[C@@H](Oc1ccc(cc1C(=O)N1CCN(CC1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
InChI key: YUUGYIUSCYNSQR-GFCCVEGCSA-N
