N-(2-bromophenyl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-bromophenyl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
N-(2-bromophenyl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F831-0462 |
| Compound Name: | N-(2-bromophenyl)-2-{[9-(4-methylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 493.38 |
| Molecular Formula: | C22 H17 Br N6 O S |
| Smiles: | Cc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(Nc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9069 |
| logD: | 3.6088 |
| logSw: | -3.9254 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.76 |
| InChI Key: | SJEMLTHYACONHB-UHFFFAOYSA-N |