2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | F831-0770 |
| Compound Name: | 2-{[9-(4-chlorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 412.9 |
| Molecular Formula: | C19 H17 Cl N6 O S |
| Smiles: | C1CCN(C1)C(CSc1nnc2c3cc(c4ccc(cc4)[Cl])nn3ccn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8594 |
| logD: | 2.7891 |
| logSw: | -3.5224 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.067 |
| InChI Key: | LJRSDESJHAGMRR-UHFFFAOYSA-N |