2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8415-04001 |
| Compound Name: | 2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 402.31 |
| Molecular Formula: | C18 H16 Br N3 O S |
| Smiles: | Cc1ccc(cc1)C(CSc1nnc(c2ccccc2[Br])n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.85 |
| logD: | 3.85 |
| logSw: | -3.9872 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.298 |
| InChI Key: | JBQPADXCFAJCGV-UHFFFAOYSA-N |