methyl 2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate
Chemical Structure Depiction of
methyl 2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate
methyl 2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | C099-0321 |
| Compound Name: | methyl 2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}butanoate |
| Molecular Weight: | 362.38 |
| Molecular Formula: | C16 H15 F N4 O3 S |
| Smiles: | CCC(C(=O)OC)SC1NC(c2cnn(c3ccc(cc3)F)c2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1121 |
| logD: | 3.0886 |
| logSw: | -3.476 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.897 |
| InChI Key: | CGNUJPSZAUYPRN-LBPRGKRZSA-N |