N-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-2-{[2-methyl-6-(3-methylbutyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-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: | G020-0690 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[2-methyl-6-(3-methylbutyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 437.92 |
| Molecular Formula: | C19 H21 Cl F N5 O2 S |
| Smiles: | CC(C)CCN1C(=Nc2cn(C)nc2C1=O)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4542 |
| logD: | 3.4492 |
| logSw: | -3.7796 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.617 |
| InChI Key: | BTUPGXSANALQGW-UHFFFAOYSA-N |