2-{[5-(4-bromophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[5-(4-bromophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | G865-0013 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 464.38 |
| Molecular Formula: | C23 H18 Br N3 O S |
| Smiles: | Cc1cccc(c1)n1c(c2ccc(cc2)[Br])nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1113 |
| logD: | 6.1113 |
| logSw: | -5.5572 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.959 |
| InChI Key: | ZVCNMVAYNXIBEV-UHFFFAOYSA-N |