2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(2-methoxyphenyl)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-methoxyphenyl)acetamide
2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | E960-0352 |
| Compound Name: | 2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | Cn1c2C(N(Cc3ccccc3)C(=Nc2cn1)SCC(Nc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.582 |
| logD: | 2.582 |
| logSw: | -3.0272 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.98 |
| InChI Key: | XTWSOESDLVOTAE-UHFFFAOYSA-N |