4-({N-[(4-fluorophenyl)methyl]-2-methylpropanamido}methyl)phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-({N-[(4-fluorophenyl)methyl]-2-methylpropanamido}methyl)phenyl propane-2-sulfonate
4-({N-[(4-fluorophenyl)methyl]-2-methylpropanamido}methyl)phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V024-8046 |
| Compound Name: | 4-({N-[(4-fluorophenyl)methyl]-2-methylpropanamido}methyl)phenyl propane-2-sulfonate |
| Molecular Weight: | 407.5 |
| Molecular Formula: | C21 H26 F N O4 S |
| Smiles: | CC(C)C(N(Cc1ccc(cc1)OS(C(C)C)(=O)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7851 |
| logD: | 3.7851 |
| logSw: | -3.8902 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.482 |
| InChI Key: | QJHPPHCMJHMNTL-UHFFFAOYSA-N |