N-(4-chloro-2-fluorophenyl)-2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
N-(4-chloro-2-fluorophenyl)-2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | E960-0849 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-{[1-ethyl-3-methyl-7-oxo-6-(2-phenylethyl)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 499.99 |
| Molecular Formula: | C24 H23 Cl F N5 O2 S |
| Smiles: | CCn1c2C(N(CCc3ccccc3)C(=Nc2c(C)n1)SCC(Nc1ccc(cc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9747 |
| logD: | 3.9697 |
| logSw: | -4.3331 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.868 |
| InChI Key: | LKIBBAVLYALUQV-UHFFFAOYSA-N |