4-tert-butyl-N-(4-{[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(4-{[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
4-tert-butyl-N-(4-{[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide
Compound characteristics
| Compound ID: | C679-4619 |
| Compound Name: | 4-tert-butyl-N-(4-{[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methoxy}phenyl)benzamide |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C27 H30 N4 O3 S |
| Smiles: | CC(C)CC1=NN2C(=NC(COc3ccc(cc3)NC(c3ccc(cc3)C(C)(C)C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 6.111 |
| logD: | 6.1083 |
| logSw: | -5.4813 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.765 |
| InChI Key: | IVRLHHJGSSNKRM-UHFFFAOYSA-N |