Name: TC-E 5006
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212709364
Cas No:1257395-14-4
常用名:TC-E 5006
IUPAC:2-{6-[(4-fluorophenyl)(4-methylpiperidin-1-yl)methyl]-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl}propanoic acid
IUPAC:2-{6-[(4-fluorophenyl)(4-methylpiperidin-1-yl)methyl]-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl}propanoic acid
InChI key:ONYWALXTZFPKAS-UHFFFAOYSA-N

分子式:C29H29F4NO2
分子量:499.55
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:4.9526772
SMILES:CC(C(O)=O)c1ccc(C(N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F
SMILES:CC(C(O)=O)c1ccc(C(N2CCC(C)CC2)c2ccc(F)cc2)c(c1)-c1ccc(cc1)C(F)(F)F

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