methyl 2-(2-{[9-(3,4-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[9-(3,4-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[9-(3,4-dimethylphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F831-0819 |
| Compound Name: | methyl 2-(2-{[9-(3,4-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(cc1C)c1cc2c3nnc(n3ccn2n1)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8076 |
| logD: | 3.2761 |
| logSw: | -3.9255 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.933 |
| InChI Key: | KKTCOYOUJMGUNL-UHFFFAOYSA-N |