methyl 6-(cyclooctylcarbamoyl)-5-(2,5-dimethylphenyl)-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
Chemical Structure Depiction of
methyl 6-(cyclooctylcarbamoyl)-5-(2,5-dimethylphenyl)-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
methyl 6-(cyclooctylcarbamoyl)-5-(2,5-dimethylphenyl)-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
Compound characteristics
| Compound ID: | E853-0690 |
| Compound Name: | methyl 6-(cyclooctylcarbamoyl)-5-(2,5-dimethylphenyl)-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C26 H34 N4 O4 |
| Smiles: | Cc1ccc(C)c(c1)N1C(c2cc(C(=O)OC)nn2CC1(C)C(NC1CCCCCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6051 |
| logD: | 4.6051 |
| logSw: | -4.3479 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.063 |
| InChI Key: | SGZBVJABVSNBSF-SANMLTNESA-N |