2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | E960-0382 |
| Compound Name: | 2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C22 H20 Cl N5 O2 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSC1=Nc2cnn(C)c2C(N1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6363 |
| logD: | 3.6361 |
| logSw: | -3.785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.35 |
| InChI Key: | WZKUUHOYPTYZMJ-UHFFFAOYSA-N |