N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)thiophene-2-carboxamide
N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | C679-5064 |
| Compound Name: | N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)thiophene-2-carboxamide |
| Molecular Weight: | 454.57 |
| Molecular Formula: | C22 H22 N4 O3 S2 |
| Smiles: | CCC(CC)C1=NN2C(=NC(COc3ccc(cc3)NC(c3cccs3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.757 |
| logD: | 4.7538 |
| logSw: | -4.4219 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.879 |
| InChI Key: | JMWCFLKTYQYLOF-UHFFFAOYSA-N |