4-({N-[(4-fluorophenyl)methyl]-4-nitrobenzamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({N-[(4-fluorophenyl)methyl]-4-nitrobenzamido}methyl)phenyl ethanesulfonate
4-({N-[(4-fluorophenyl)methyl]-4-nitrobenzamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V012-0182 |
| Compound Name: | 4-({N-[(4-fluorophenyl)methyl]-4-nitrobenzamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 472.49 |
| Molecular Formula: | C23 H21 F N2 O6 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(cc2)F)C(c2ccc(cc2)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6121 |
| logD: | 3.6121 |
| logSw: | -3.8032 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.668 |
| InChI Key: | GQDQURDUXXQFJC-UHFFFAOYSA-N |