N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-phenoxypropanamide
Chemical Structure Depiction of
N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-phenoxypropanamide
N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-phenoxypropanamide
Compound characteristics
| Compound ID: | C679-4031 |
| Compound Name: | N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-2-phenoxypropanamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | CC(C(Nc1cccc(c1)OCC1=CC(N2C(=N1)SC(C)=N2)=O)=O)Oc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3747 |
| logD: | 3.3696 |
| logSw: | -3.6983 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.823 |
| InChI Key: | DKCIQULIPWZXGC-AWEZNQCLSA-N |