1-(4-bromophenyl)-2-{[5-(2-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-bromophenyl)-2-{[5-(2-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-bromophenyl)-2-{[5-(2-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 7919-0029 |
| Compound Name: | 1-(4-bromophenyl)-2-{[5-(2-propoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 432.34 |
| Molecular Formula: | C19 H18 Br N3 O2 S |
| Smiles: | CCCOc1ccccc1c1nnc([nH]1)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5089 |
| logD: | 3.4394 |
| logSw: | -4.3962 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.225 |
| InChI Key: | MNDJOIPGGIIZPO-UHFFFAOYSA-N |