methyl 4-(2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F831-0934 |
| Compound Name: | methyl 4-(2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C25 H22 N6 O3 S |
| Smiles: | Cc1ccc(C)c(c1)c1cc2c3nnc(n3ccn2n1)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9133 |
| logD: | 3.8859 |
| logSw: | -3.945 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.631 |
| InChI Key: | RUULDNJTDIMXSR-UHFFFAOYSA-N |