4-({N-[(4-fluorophenyl)methyl]-2-methylpropanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
4-({N-[(4-fluorophenyl)methyl]-2-methylpropanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
4-({N-[(4-fluorophenyl)methyl]-2-methylpropanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4768 |
| Compound Name: | 4-({N-[(4-fluorophenyl)methyl]-2-methylpropanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 471.55 |
| Molecular Formula: | C25 H26 F N O5 S |
| Smiles: | CC(C)C(N(Cc1ccc(cc1)OS(c1ccc(cc1)OC)(=O)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6421 |
| logD: | 4.6421 |
| logSw: | -4.3979 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.755 |
| InChI Key: | JTWSAZDICWGCQU-UHFFFAOYSA-N |