2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C365-0321 |
| Compound Name: | 2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C18 H17 N7 O2 S2 |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(NC(=N2)SCC(Nc1nnc(C)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0645 |
| logD: | 3.0015 |
| logSw: | -3.3032 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.952 |
| InChI Key: | VTOGGRYOQVMNHL-UHFFFAOYSA-N |