5-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)-2-methoxyphenyl propane-2-sulfonate
5-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V030-1100 |
| Compound Name: | 5-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 505.99 |
| Molecular Formula: | C25 H25 Cl F N O5 S |
| Smiles: | CC(C)S(=O)(=O)Oc1cc(CN(Cc2ccc(cc2)F)C(c2ccccc2[Cl])=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3887 |
| logD: | 4.3887 |
| logSw: | -4.5334 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.928 |
| InChI Key: | OSJBYGJLVCHIAA-UHFFFAOYSA-N |