ethyl 6-(benzylcarbamoyl)-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-(benzylcarbamoyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
ethyl 6-(benzylcarbamoyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
Compound characteristics
| Compound ID: | E853-2324 |
| Compound Name: | ethyl 6-(benzylcarbamoyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C25 H26 N4 O4 S |
| Smiles: | CCOC(c1cc2C(N(c3cccc(c3)SC)C(C)(Cn2n1)C(NCc1ccccc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1021 |
| logD: | 3.1021 |
| logSw: | -3.3167 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.887 |
| InChI Key: | ZWUTWVNRADLXRU-VWLOTQADSA-N |