2-[(6-butyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-chloro-2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(6-butyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-chloro-2-fluorophenyl)acetamide
2-[(6-butyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-chloro-2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | G020-0303 |
| Compound Name: | 2-[(6-butyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-chloro-2-fluorophenyl)acetamide |
| Molecular Weight: | 423.89 |
| Molecular Formula: | C18 H19 Cl F N5 O2 S |
| Smiles: | CCCCN1C(=Nc2cn(C)nc2C1=O)SCC(Nc1ccc(cc1F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0308 |
| logD: | 3.0258 |
| logSw: | -3.5341 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.919 |
| InChI Key: | KXPWQDNHYYJALA-UHFFFAOYSA-N |