2-({6-methyl-4-[(4-methylphenyl)methyl]-5-oxo-5,6-dihydro-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-({6-methyl-4-[(4-methylphenyl)methyl]-5-oxo-5,6-dihydro-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)-N-(3-methylphenyl)acetamide
2-({6-methyl-4-[(4-methylphenyl)methyl]-5-oxo-5,6-dihydro-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | L683-0386 |
| Compound Name: | 2-({6-methyl-4-[(4-methylphenyl)methyl]-5-oxo-5,6-dihydro-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 473.56 |
| Molecular Formula: | C24 H23 N7 O2 S |
| Smiles: | Cc1ccc(CN2C(c3c(cnn3C)n3c2nnc3SCC(Nc2cccc(C)c2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3331 |
| logD: | 3.3331 |
| logSw: | -3.5195 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.589 |
| InChI Key: | CTNHTBRDKZZIBT-UHFFFAOYSA-N |