methyl 4-({[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)benzoate
methyl 4-({[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | G873-0159 |
| Compound Name: | methyl 4-({[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 426.88 |
| Molecular Formula: | C20 H15 Cl N4 O3 S |
| Smiles: | COC(c1ccc(CSC2NC(c3cnn(c4ccc(cc4)[Cl])c3N=2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1198 |
| logD: | 4.081 |
| logSw: | -4.5631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.625 |
| InChI Key: | NBTGDYGENWYEQF-UHFFFAOYSA-N |