ethyl 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
ethyl 4-(2-{[9-(2,5-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate
ethyl 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: | F831-0935 |
| Compound Name: | ethyl 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: | 500.58 |
| Molecular Formula: | C26 H24 N6 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nnc2c3cc(c4cc(C)ccc4C)nn3ccn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4239 |
| logD: | 4.3966 |
| logSw: | -4.2622 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.211 |
| InChI Key: | AKTXBSIVOUJVKS-UHFFFAOYSA-N |