N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-1,7,8,9,10,11-hexahydro-2H-cyclohepta[3,4]pyrazolo[1,5-a]pyrazin-2-yl)acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-1,7,8,9,10,11-hexahydro-2H-cyclohepta[3,4]pyrazolo[1,5-a]pyrazin-2-yl)acetamide
N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-1,7,8,9,10,11-hexahydro-2H-cyclohepta[3,4]pyrazolo[1,5-a]pyrazin-2-yl)acetamide
Compound characteristics
| Compound ID: | S446-0080 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-1,7,8,9,10,11-hexahydro-2H-cyclohepta[3,4]pyrazolo[1,5-a]pyrazin-2-yl)acetamide |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C20 H22 N4 O2 S |
| Smiles: | CSc1cccc(c1)NC(CN1C=Cn2c(C1=O)c1CCCCCc1n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5619 |
| logD: | 2.5619 |
| logSw: | -2.9338 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.92 |
| InChI Key: | XMWMUOBNVFJFIM-UHFFFAOYSA-N |