N-(2,4-dimethoxyphenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(2,4-dimethoxyphenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | C099-0354 |
Compound Name: | N-(2,4-dimethoxyphenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
Molecular Weight: | 455.47 |
Molecular Formula: | C21 H18 F N5 O4 S |
Smiles: | COc1ccc(c(c1)OC)NC(CSC1NC(c2cnn(c3ccc(cc3)F)c2N=1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.884 |
logD: | 2.8211 |
logSw: | -3.4893 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.077 |
InChI Key: | RRYOXKVHGNURBP-UHFFFAOYSA-N |