3-methyl-N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)butanamide
Chemical Structure Depiction of
3-methyl-N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)butanamide
3-methyl-N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)butanamide
Compound characteristics
| Compound ID: | C679-5072 |
| Compound Name: | 3-methyl-N-(4-{[5-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)butanamide |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C22 H28 N4 O3 S |
| Smiles: | CCC(CC)C1=NN2C(=NC(COc3ccc(cc3)NC(CC(C)C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.6426 |
| logD: | 4.6394 |
| logSw: | -4.2911 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.919 |
| InChI Key: | NBMJXMMHEJMPPR-UHFFFAOYSA-N |