methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
Chemical Structure Depiction of
methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
Compound characteristics
| Compound ID: | E853-0250 |
| Compound Name: | methyl 6-(cyclohexylcarbamoyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C23 H28 N4 O4 S |
| Smiles: | CC1(Cn2c(cc(C(=O)OC)n2)C(N1c1cccc(c1)SC)=O)C(NC1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0062 |
| logD: | 3.0062 |
| logSw: | -3.3427 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.033 |
| InChI Key: | LJCXZXHFCTZPMO-QHCPKHFHSA-N |