2-{[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one
2-{[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 4425-0096 |
| Compound Name: | 2-{[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethan-1-one |
| Molecular Weight: | 465.37 |
| Molecular Formula: | C22 H17 Br N4 O S |
| Smiles: | C(c1ccccc1)n1c(c2ccncc2)nnc1SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7056 |
| logD: | 4.7042 |
| logSw: | -4.7114 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.644 |
| InChI Key: | NPCRRRUCFZDNCQ-UHFFFAOYSA-N |