4-({benzyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({benzyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate
4-({benzyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V011-8684 |
| Compound Name: | 4-({benzyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C24 H25 F N2 O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccc(cc2)F)C(NCc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7119 |
| logD: | 3.7119 |
| logSw: | -3.8689 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.43 |
| InChI Key: | GYQRCEZOMZXJJA-UHFFFAOYSA-N |