N-[(4-fluorophenyl)methyl]-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[(4-fluorophenyl)methyl]-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G873-0232 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C21 H18 F N5 O3 S |
| Smiles: | COc1ccccc1n1c2c(cn1)C(NC(=N2)SCC(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6227 |
| logD: | 2.5597 |
| logSw: | -3.3005 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.253 |
| InChI Key: | XOTZZUIMFXLYAD-UHFFFAOYSA-N |