N-(3,4-dichlorophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3,4-dichlorophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0322 |
| Compound Name: | N-(3,4-dichlorophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 456.35 |
| Molecular Formula: | C21 H15 Cl2 N5 O S |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])[Cl])=O)Sc1nnc(c2ccncc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8912 |
| logD: | 4.8846 |
| logSw: | -5.1884 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.29 |
| InChI Key: | VMVFNSFVJNGQEU-UHFFFAOYSA-N |