ethyl 4-(2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | C365-0222 |
| Compound Name: | ethyl 4-(2-{[1-(4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C23 H21 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1NC(c2cnn(c3ccc(C)cc3)c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1346 |
| logD: | 4.0716 |
| logSw: | -3.995 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.355 |
| InChI Key: | BPPDWZRGNJRDCN-UHFFFAOYSA-N |