4-chloro-2-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3630 |
| Compound Name: | 4-chloro-2-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 585.03 |
| Molecular Formula: | C29 H23 Cl F2 N2 O5 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1CN(Cc1ccc(cc1)F)C(c1cccc(c1)F)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0701 |
| logD: | 5.07 |
| logSw: | -5.321 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.288 |
| InChI Key: | UIXHLINGSVVTBF-UHFFFAOYSA-N |