ethyl 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
ethyl 6-(cycloheptylcarbamoyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
ethyl 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: | E853-0905 |
| Compound Name: | ethyl 6-(cycloheptylcarbamoyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-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: | CCOC(c1cc2C(N(c3cccc(c3)SC)C(C)(Cn2n1)C(NC1CCCCCC1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9571 |
| logD: | 3.9571 |
| logSw: | -3.892 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.943 |
| InChI Key: | BAGPWOTWWHCJDX-VWLOTQADSA-N |