6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C099-0296 |
| Compound Name: | 6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 414.84 |
| Molecular Formula: | C19 H12 Cl F N4 O2 S |
| Smiles: | C(C(c1ccc(cc1)[Cl])=O)SC1NC(c2cnn(c3ccc(cc3)F)c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8608 |
| logD: | 3.815 |
| logSw: | -4.5557 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.699 |
| InChI Key: | LUNKCDHJLQDCHQ-UHFFFAOYSA-N |