N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide
Chemical Structure Depiction of
N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide
N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide
Compound characteristics
| Compound ID: | E225-0938 |
| Compound Name: | N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-[3-(methylsulfanyl)phenyl]-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C29 H28 N4 O3 S |
| Smiles: | CC1(Cn2c(cc(c3ccc(cc3)OC)n2)C(N1c1cccc(c1)SC)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7579 |
| logD: | 4.7579 |
| logSw: | -4.6168 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.406 |
| InChI Key: | ILPMPUBTISSFOB-LJAQVGFWSA-N |