1-(4-bromophenyl)-2-{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-bromophenyl)-2-{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8415-04067 |
| Compound Name: | 1-(4-bromophenyl)-2-{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 402.31 |
| Molecular Formula: | C18 H16 Br N3 O S |
| Smiles: | Cc1cccc(c1)c1nnc(n1C)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5453 |
| logD: | 4.5453 |
| logSw: | -4.4493 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.298 |
| InChI Key: | FGQNTTDLZUFPJS-UHFFFAOYSA-N |