methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
Chemical Structure Depiction of
methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
Compound characteristics
| Compound ID: | E853-0296 |
| Compound Name: | methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-{2-[4-(methylsulfanyl)phenyl]ethyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate |
| Molecular Weight: | 484.62 |
| Molecular Formula: | C25 H32 N4 O4 S |
| Smiles: | CC1(Cn2c(cc(C(=O)OC)n2)C(N1CCc1ccc(cc1)SC)=O)C(NC1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8619 |
| logD: | 3.8619 |
| logSw: | -3.9266 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.622 |
| InChI Key: | JVPPYSWIIQPWCC-VWLOTQADSA-N |