N-(2,5-difluorophenyl)-2-{[2-methyl-6-(3-methylbutyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-difluorophenyl)-2-{[2-methyl-6-(3-methylbutyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(2,5-difluorophenyl)-2-{[2-methyl-6-(3-methylbutyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G020-0714 |
| Compound Name: | N-(2,5-difluorophenyl)-2-{[2-methyl-6-(3-methylbutyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C19 H21 F2 N5 O2 S |
| Smiles: | CC(C)CCN1C(=Nc2cn(C)nc2C1=O)SCC(Nc1cc(ccc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8913 |
| logD: | 2.8853 |
| logSw: | -3.3339 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.919 |
| InChI Key: | JDFYXNSVMQSOBE-UHFFFAOYSA-N |