N-(4-bromophenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F831-1121 |
| Compound Name: | N-(4-bromophenyl)-2-{[9-(4-methoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 509.38 |
| Molecular Formula: | C22 H17 Br N6 O2 S |
| Smiles: | COc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.037 |
| logD: | 3.992 |
| logSw: | -4.2128 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.001 |
| InChI Key: | PVPIWQPSWWWICO-UHFFFAOYSA-N |