2-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
2-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5267 |
| Compound Name: | 2-({N-[(4-fluorophenyl)methyl](2-methoxyphenyl)carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 550.61 |
| Molecular Formula: | C29 H27 F N2 O6 S |
| Smiles: | COc1ccc(cc1)S(=O)(=O)Oc1ccccc1CN(Cc1ccc(cc1)F)C(Nc1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7951 |
| logD: | 5.7951 |
| logSw: | -5.5608 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.323 |
| InChI Key: | AKYRHLAUXXDLHK-UHFFFAOYSA-N |