4-tert-butyl-N-(4-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(4-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide
4-tert-butyl-N-(4-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide
Compound characteristics
| Compound ID: | D439-3541 |
| Compound Name: | 4-tert-butyl-N-(4-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide |
| Molecular Weight: | 459.55 |
| Molecular Formula: | C26 H29 N5 O3 |
| Smiles: | CC(C)N1C=NC2=NC(COc3ccc(cc3)NC(c3ccc(cc3)C(C)(C)C)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9719 |
| logD: | 3.6284 |
| logSw: | -4.1309 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.767 |
| InChI Key: | VEPZYCWHXWWNRP-UHFFFAOYSA-N |