2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]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-(4-sulfamoylphenyl)ethyl]acetamide
2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | C200-4015 |
| Compound Name: | 2-[(6-benzyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C23 H24 N6 O4 S2 |
| Smiles: | Cn1c2C(N(Cc3ccccc3)C(=Nc2cn1)SCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6455 |
| logD: | 0.6448 |
| logSw: | -2.1921 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.814 |
| InChI Key: | QAVUDRGFPMTOCN-UHFFFAOYSA-N |