4-chloro-2-({[(4-fluorophenyl)methyl](thiophene-2-carbonyl)amino}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({[(4-fluorophenyl)methyl](thiophene-2-carbonyl)amino}methyl)phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-({[(4-fluorophenyl)methyl](thiophene-2-carbonyl)amino}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-1281 |
| Compound Name: | 4-chloro-2-({[(4-fluorophenyl)methyl](thiophene-2-carbonyl)amino}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 573.06 |
| Molecular Formula: | C27 H22 Cl F N2 O5 S2 |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1CN(Cc1ccc(cc1)F)C(c1cccs1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1679 |
| logD: | 5.1677 |
| logSw: | -5.5268 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.306 |
| InChI Key: | PNJNEZDUOVKPST-UHFFFAOYSA-N |