N~6~-[(4-fluorophenyl)methyl]-5,6-dimethyl-N~2~-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
Chemical Structure Depiction of
N~6~-[(4-fluorophenyl)methyl]-5,6-dimethyl-N~2~-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
N~6~-[(4-fluorophenyl)methyl]-5,6-dimethyl-N~2~-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
Compound characteristics
| Compound ID: | E852-2531 |
| Compound Name: | N~6~-[(4-fluorophenyl)methyl]-5,6-dimethyl-N~2~-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C25 H26 F N5 O3 S |
| Smiles: | CC1(Cn2c(cc(C(NCc3ccc(cc3)SC)=O)n2)C(N1C)=O)C(NCc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.72 |
| logD: | 2.72 |
| logSw: | -3.1812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.196 |
| InChI Key: | HUCMQTYAJMLIKA-VWLOTQADSA-N |