Name: Bitopertin
Rating: 5 (10 reviews)

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HIT ID:HIT212034313
Cas No:845614-11-1
常用名:Bitopertin
别名:比拓喷丁, 比托派汀, RO4917838, RG1678, Paliflutine
别名:比拓喷丁, 比托派汀, RO4917838, RG1678, Paliflutine
IUPAC:1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-4-(5-methanesulfonyl-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzoyl)piperazine
IUPAC:1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-4-(5-methanesulfonyl-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzoyl)piperazine
InChI key:YUUGYIUSCYNSQR-LBPRGKRZSA-N

分子式:C21H20F7N3O4S
分子量:543.46
氢键供体数 (HBD):0
氢键受体数 (HBA):6
LogP:3.461122
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

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