6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C099-0314 |
| Compound Name: | 6-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 380.44 |
| Molecular Formula: | C20 H17 F N4 O S |
| Smiles: | Cc1ccc(C)c(CSC2NC(c3cnn(c4ccc(cc4)F)c3N=2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9685 |
| logD: | 4.9297 |
| logSw: | -4.4474 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.452 |
| InChI Key: | TVYSRDCDCOOMRR-UHFFFAOYSA-N |