2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]acetamide
2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | E960-0359 |
| Compound Name: | 2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3cnn(C)c3C(N2Cc2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9336 |
| logD: | 2.9336 |
| logSw: | -3.234 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.37 |
| InChI Key: | FACUQWNEJCFDPL-UHFFFAOYSA-N |