2-[(6-benzyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
2-[(6-benzyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | G020-0536 |
| Compound Name: | 2-[(6-benzyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C21 H18 F N5 O2 S |
| Smiles: | Cn1cc2c(C(N(Cc3ccccc3)C(=N2)SCC(Nc2ccc(cc2)F)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7764 |
| logD: | 2.7764 |
| logSw: | -3.2421 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.367 |
| InChI Key: | XCQAJWXHRKBBKS-UHFFFAOYSA-N |