3,5-dimethoxy-N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
Chemical Structure Depiction of
3,5-dimethoxy-N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
3,5-dimethoxy-N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide
Compound characteristics
| Compound ID: | F527-0168 |
| Compound Name: | 3,5-dimethoxy-N-{[2-(2-methylphenyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}benzamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | Cc1ccccc1C1=NN2C(=NC(CNC(c3cc(cc(c3)OC)OC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.2988 |
| logD: | 3.2983 |
| logSw: | -3.74 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.772 |
| InChI Key: | BKKXJEVKRGBRLB-UHFFFAOYSA-N |