methyl 5-({[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | C099-0297 |
| Compound Name: | methyl 5-({[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C18 H13 F N4 O4 S |
| Smiles: | COC(c1ccc(CSC2NC(c3cnn(c4ccc(cc4)F)c3N=2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1983 |
| logD: | 3.1442 |
| logSw: | -3.5005 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.467 |
| InChI Key: | WBNJIAXFCSKQCF-UHFFFAOYSA-N |