N-benzyl-6-methyl-5-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide
Chemical Structure Depiction of
N-benzyl-6-methyl-5-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide
N-benzyl-6-methyl-5-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide
Compound characteristics
| Compound ID: | E225-0635 |
| Compound Name: | N-benzyl-6-methyl-5-{[4-(methylsulfanyl)phenyl]methyl}-4-oxo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C29 H28 N4 O2 S |
| Smiles: | CC1(Cn2c(cc(c3ccccc3)n2)C(N1Cc1ccc(cc1)SC)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4271 |
| logD: | 5.4271 |
| logSw: | -5.3473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.473 |
| InChI Key: | CIJAUIXCSPZQCJ-LJAQVGFWSA-N |