methyl 6-(cycloheptylcarbamoyl)-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-(cycloheptylcarbamoyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
methyl 6-(cycloheptylcarbamoyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
Compound characteristics
| Compound ID: | E853-0566 |
| Compound Name: | methyl 6-(cycloheptylcarbamoyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C24 H30 N4 O4 S |
| Smiles: | CC1(Cn2c(cc(C(=O)OC)n2)C(N1c1cccc(c1)SC)=O)C(NC1CCCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5021 |
| logD: | 3.5021 |
| logSw: | -3.834 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.364 |
| InChI Key: | VIDYIIVSKXVYNO-DEOSSOPVSA-N |