N~6~-benzyl-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~-benzyl-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~-benzyl-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: | E852-1473 |
| Compound Name: | N~6~-benzyl-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: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CC1(Cn2c(cc(C(NCc3ccc(cc3)SC)=O)n2)C(N1C)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.691 |
| logD: | 2.691 |
| logSw: | -3.1155 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.196 |
| InChI Key: | QNMIBQINURTVAH-VWLOTQADSA-N |