6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C099-0387 |
| Compound Name: | 6-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 404.82 |
| Molecular Formula: | C18 H11 Cl F2 N4 O S |
| Smiles: | C(c1c(cccc1[Cl])F)SC1NC(c2cnn(c3ccc(cc3)F)c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.49 |
| logD: | 4.4713 |
| logSw: | -4.6808 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.452 |
| InChI Key: | FTNHHUXFCIBSAL-UHFFFAOYSA-N |