5,6-dimethyl-N~6~-[(4-methylphenyl)methyl]-N~2~-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
Chemical Structure Depiction of
5,6-dimethyl-N~6~-[(4-methylphenyl)methyl]-N~2~-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
5,6-dimethyl-N~6~-[(4-methylphenyl)methyl]-N~2~-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
Compound characteristics
| Compound ID: | E852-3269 |
| Compound Name: | 5,6-dimethyl-N~6~-[(4-methylphenyl)methyl]-N~2~-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C27 H31 N5 O3 S |
| Smiles: | Cc1ccc(CNC(C2(C)Cn3c(cc(C(NCCc4ccc(cc4)SC)=O)n3)C(N2C)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0479 |
| logD: | 3.0479 |
| logSw: | -3.3489 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.037 |
| InChI Key: | XCKUGMMDRLXPMY-MHZLTWQESA-N |