N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F248-0154 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 447.82 |
| Molecular Formula: | C16 H13 Cl F3 N5 O3 S |
| Smiles: | C(CO)n1c2c(cn1)C(NC(=N2)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9659 |
| logD: | 1.9348 |
| logSw: | -3.1176 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.673 |
| InChI Key: | SZYFVALMLYSRCP-UHFFFAOYSA-N |