3-chloro-N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
Chemical Structure Depiction of
3-chloro-N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
3-chloro-N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
Compound characteristics
| Compound ID: | C679-5092 |
| Compound Name: | 3-chloro-N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C24 H23 Cl N4 O3 S |
| Smiles: | CCC(CC)C1=NN2C(=NC(COc3ccc(cc3)NC(c3cccc(c3)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.5072 |
| logD: | 5.5029 |
| logSw: | -5.8872 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.861 |
| InChI Key: | KHLROJNFGRUFFA-UHFFFAOYSA-N |