N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-{[4-(methylsulfanyl)phenyl]methyl}-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-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide
N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide
Compound characteristics
| Compound ID: | E225-1022 |
| Compound Name: | N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide |
| Molecular Weight: | 526.66 |
| Molecular Formula: | C30 H30 N4 O3 S |
| Smiles: | CC1(Cn2c(cc(c3ccc(cc3)OC)n2)C(N1Cc1ccc(cc1)SC)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5146 |
| logD: | 5.5145 |
| logSw: | -5.4349 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.017 |
| InChI Key: | QMMIEQMAGCKVIB-PMERELPUSA-N |