methyl 4-{2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | F831-0033 |
| Compound Name: | methyl 4-{2-[(9-phenylpyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 458.5 |
| Molecular Formula: | C23 H18 N6 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc2c3cc(c4ccccc4)nn3ccn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2065 |
| logD: | 3.1361 |
| logSw: | -3.5785 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.631 |
| InChI Key: | HUUWCELLVFQCMB-UHFFFAOYSA-N |