2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(2,5-dimethylphenyl)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-(2,5-dimethylphenyl)acetamide
2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | E960-0380 |
| Compound Name: | 2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSC1=Nc2cnn(C)c2C(N1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8701 |
| logD: | 2.8701 |
| logSw: | -3.1687 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.35 |
| InChI Key: | RQJAFJCZTJIXIG-UHFFFAOYSA-N |