methyl 2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanoate
methyl 2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C365-0283 |
| Compound Name: | methyl 2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}propanoate |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C17 H18 N4 O3 S |
| Smiles: | CC(C(=O)OC)SC1NC(c2cnn(c3ccc(C)c(C)c3)c2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6935 |
| logD: | 3.6699 |
| logSw: | -3.8694 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.897 |
| InChI Key: | VXQKSCDJLLYJPF-NSHDSACASA-N |