2-[(6-butyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-chloro-4-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-(3-chloro-4-fluorophenyl)acetamide
2-[(6-butyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | G020-0281 |
| Compound Name: | 2-[(6-butyl-2-methyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide |
| Molecular Weight: | 423.89 |
| Molecular Formula: | C18 H19 Cl F N5 O2 S |
| Smiles: | CCCCN1C(=Nc2cn(C)nc2C1=O)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1391 |
| logD: | 3.1342 |
| logSw: | -3.5111 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.617 |
| InChI Key: | BDJPAVGSSIWNLV-UHFFFAOYSA-N |