3-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
3-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4797 |
| Compound Name: | 3-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 540.01 |
| Molecular Formula: | C28 H23 Cl F N O5 S |
| Smiles: | COc1ccc(cc1)S(=O)(=O)Oc1cccc(CN(Cc2ccc(cc2)F)C(c2ccccc2[Cl])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.4664 |
| logD: | 5.4664 |
| logSw: | -5.7922 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.483 |
| InChI Key: | LMMYCIRDSDKENY-UHFFFAOYSA-N |