methyl 4-{[1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-{[1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}thiophene-2-carboxylate
methyl 4-{[1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y504-5223 |
| Compound Name: | methyl 4-{[1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}thiophene-2-carboxylate |
| Molecular Weight: | 384.39 |
| Molecular Formula: | C18 H13 F N4 O3 S |
| Smiles: | COC(c1cc(CN2C=Nc3c(cnn3c3ccc(cc3)F)C2=O)cs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7658 |
| logD: | 2.7658 |
| logSw: | -3.0297 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.482 |
| InChI Key: | TXQQSKWVLBODOI-UHFFFAOYSA-N |