N-(2,3-dimethylphenyl)-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)acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-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)acetamide
N-(2,3-dimethylphenyl)-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)acetamide
Compound characteristics
| Compound ID: | L683-0406 |
| Compound Name: | N-(2,3-dimethylphenyl)-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)acetamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C25 H25 N7 O2 S |
| Smiles: | Cc1ccc(CN2C(c3c(cnn3C)n3c2nnc3SCC(Nc2cccc(C)c2C)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6036 |
| logD: | 3.6036 |
| logSw: | -3.5852 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.891 |
| InChI Key: | UFRSCPKWPCJRHQ-UHFFFAOYSA-N |