2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | F831-0999 |
| Compound Name: | 2-{[9-(4-butoxyphenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]sulfanyl}-1-(3,4-dihydroquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C28 H28 N6 O2 S |
| Smiles: | CCCCOc1ccc(cc1)c1cc2c3nnc(n3ccn2n1)SCC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0871 |
| logD: | 5.0422 |
| logSw: | -4.8022 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.783 |
| InChI Key: | DQOQELVSUQURJZ-UHFFFAOYSA-N |