2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(2,6-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-(2,6-dimethylphenyl)acetamide
2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C200-4019 |
| Compound Name: | 2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | Cc1cccc(C)c1NC(CSC1=Nc2cnn(C)c2C(N1Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0136 |
| logD: | 3.0136 |
| logSw: | -3.0024 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.652 |
| InChI Key: | FALKFPYEHHJGMQ-UHFFFAOYSA-N |