2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | G873-0140 |
| Compound Name: | 2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 419.89 |
| Molecular Formula: | C18 H18 Cl N5 O3 S |
| Smiles: | C1CC(CNC(CSC2NC(c3cnn(c4ccc(cc4)[Cl])c3N=2)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8413 |
| logD: | 1.7783 |
| logSw: | -3.091 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.577 |
| InChI Key: | ZZXURZAXBVKIGX-CYBMUJFWSA-N |