N-{[4-(methylsulfanyl)phenyl]methyl}-3-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5(4H)-yl)propanamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-3-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5(4H)-yl)propanamide
N-{[4-(methylsulfanyl)phenyl]methyl}-3-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5(4H)-yl)propanamide
Compound characteristics
| Compound ID: | M816-1587 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-3-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5(4H)-yl)propanamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | CSc1ccc(CNC(CCN2C=Cn3c(cc(c4ccccc4)n3)C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9269 |
| logD: | 2.9269 |
| logSw: | -3.4238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.421 |
| InChI Key: | KIVOUIAFPSVDBK-UHFFFAOYSA-N |