4-({N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamido}methyl)phenyl ethanesulfonate
4-({N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V029-2992 |
| Compound Name: | 4-({N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 453.53 |
| Molecular Formula: | C25 H24 F N O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(cc2)F)C(/C=C/c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3679 |
| logD: | 4.3679 |
| logSw: | -4.2324 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.759 |
| InChI Key: | JORYWIQCBMFJGP-SFQUDFHCSA-N |