methyl 6-(cycloheptylcarbamoyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
Chemical Structure Depiction of
methyl 6-(cycloheptylcarbamoyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
methyl 6-(cycloheptylcarbamoyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
Compound characteristics
| Compound ID: | E853-0558 |
| Compound Name: | methyl 6-(cycloheptylcarbamoyl)-6-methyl-5-[(3-methylphenyl)methyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C25 H32 N4 O4 |
| Smiles: | Cc1cccc(CN2C(c3cc(C(=O)OC)nn3CC2(C)C(NC2CCCCCC2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.186 |
| logD: | 4.186 |
| logSw: | -4.291 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.975 |
| InChI Key: | HOBRIDAILJHYBJ-VWLOTQADSA-N |