2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8415-04046 |
| Compound Name: | 2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 422.73 |
| Molecular Formula: | C17 H13 Br Cl N3 O S |
| Smiles: | Cn1c(c2ccccc2[Br])nnc1SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0213 |
| logD: | 4.0213 |
| logSw: | -4.5754 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.298 |
| InChI Key: | OTOIVTKXAUVTJQ-UHFFFAOYSA-N |