4-({N-[(furan-2-yl)methyl]-4-(trifluoromethyl)benzamido}methyl)phenyl methanesulfonate
Chemical Structure Depiction of
4-({N-[(furan-2-yl)methyl]-4-(trifluoromethyl)benzamido}methyl)phenyl methanesulfonate
4-({N-[(furan-2-yl)methyl]-4-(trifluoromethyl)benzamido}methyl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | V012-1523 |
| Compound Name: | 4-({N-[(furan-2-yl)methyl]-4-(trifluoromethyl)benzamido}methyl)phenyl methanesulfonate |
| Molecular Weight: | 453.44 |
| Molecular Formula: | C21 H18 F3 N O5 S |
| Smiles: | CS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(c2ccc(cc2)C(F)(F)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7645 |
| logD: | 3.7645 |
| logSw: | -3.9362 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.076 |
| InChI Key: | IWLCVGCBHGETKQ-UHFFFAOYSA-N |