4-(2-{[4-(2-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
4-(2-{[4-(2-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
4-(2-{[4-(2-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
| Compound ID: | 8017-1643 |
| Compound Name: | 4-(2-{[4-(2-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid |
| Molecular Weight: | 465.92 |
| Molecular Formula: | C22 H16 Cl N5 O3 S |
| Smiles: | C(C(Nc1ccc(cc1)C(O)=O)=O)Sc1nnc(c2ccncc2)n1c1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7775 |
| logD: | 1.3823 |
| logSw: | -4.0397 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.397 |
| InChI Key: | LDGICYASGFRTIV-UHFFFAOYSA-N |