4-tert-butyl-N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
4-tert-butyl-N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide
Compound characteristics
| Compound ID: | C679-4034 |
| Compound Name: | 4-tert-butyl-N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}benzamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | CC1=NN2C(=NC(COc3cccc(c3)NC(c3ccc(cc3)C(C)(C)C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.9788 |
| logD: | 4.9733 |
| logSw: | -4.7342 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.034 |
| InChI Key: | NPGYAINAUVMSMU-UHFFFAOYSA-N |