2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F831-1056 |
| Compound Name: | 2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C27 H28 N6 O2 S |
| Smiles: | CCCCOc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(NCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7578 |
| logD: | 4.7128 |
| logSw: | -4.4724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.197 |
| InChI Key: | WNIUCPPFRJUGHR-UHFFFAOYSA-N |