N-(4-bromophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0321 |
| Compound Name: | N-(4-bromophenyl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 466.36 |
| Molecular Formula: | C21 H16 Br N5 O S |
| Smiles: | C(C(Nc1ccc(cc1)[Br])=O)Sc1nnc(c2ccncc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2508 |
| logD: | 4.2507 |
| logSw: | -4.1843 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.29 |
| InChI Key: | BHJXQFGYWQHMGO-UHFFFAOYSA-N |