2-[(4-methylphenyl)sulfanyl]-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)acetamide
Chemical Structure Depiction of
2-[(4-methylphenyl)sulfanyl]-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)acetamide
2-[(4-methylphenyl)sulfanyl]-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)acetamide
Compound characteristics
| Compound ID: | C679-4209 |
| Compound Name: | 2-[(4-methylphenyl)sulfanyl]-N-(3-{[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)acetamide |
| Molecular Weight: | 480.61 |
| Molecular Formula: | C24 H24 N4 O3 S2 |
| Smiles: | CC(C)C1=NN2C(=NC(COc3cccc(c3)NC(CSc3ccc(C)cc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.9196 |
| logD: | 4.9113 |
| logSw: | -4.6216 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.648 |
| InChI Key: | HFMJRWDJUIVILW-UHFFFAOYSA-N |