4-methoxy-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
Chemical Structure Depiction of
4-methoxy-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
4-methoxy-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | G072-1107 |
| Compound Name: | 4-methoxy-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C23 H22 N4 O3 S2 |
| Smiles: | CC(C)C1=NN2C(=NC(CSc3ccccc3NC(c3ccc(cc3)OC)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.3202 |
| logD: | 4.3161 |
| logSw: | -4.2448 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.208 |
| InChI Key: | FUDQATFWYOOVKW-UHFFFAOYSA-N |