4-({N-[(4-fluorophenyl)methyl](2-methylphenyl)carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({N-[(4-fluorophenyl)methyl](2-methylphenyl)carbamamido}methyl)phenyl ethanesulfonate
4-({N-[(4-fluorophenyl)methyl](2-methylphenyl)carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V028-5124 |
| Compound Name: | 4-({N-[(4-fluorophenyl)methyl](2-methylphenyl)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(Nc2ccccc2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2753 |
| logD: | 4.2753 |
| logSw: | -4.1013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.41 |
| InChI Key: | LWBPSQPWPFRVKL-UHFFFAOYSA-N |