N~6~-cyclopentyl-5-ethyl-6-methyl-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~-cyclopentyl-5-ethyl-6-methyl-N~2~-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
N~6~-cyclopentyl-5-ethyl-6-methyl-N~2~-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
Compound characteristics
| Compound ID: | E852-3638 |
| Compound Name: | N~6~-cyclopentyl-5-ethyl-6-methyl-N~2~-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2,6-dicarboxamide |
| Molecular Weight: | 469.61 |
| Molecular Formula: | C24 H31 N5 O3 S |
| Smiles: | CCN1C(c2cc(C(NCc3ccc(cc3)SC)=O)nn2CC1(C)C(NC1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1326 |
| logD: | 3.1325 |
| logSw: | -3.2929 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.246 |
| InChI Key: | NBUHVSKXSQKQFZ-DEOSSOPVSA-N |