3-bromo-N-(4-methyl-3-{[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
3-bromo-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide
3-bromo-N-(4-methyl-3-{[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: | D439-4118 |
| Compound Name: | 3-bromo-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide |
| Molecular Weight: | 496.36 |
| Molecular Formula: | C23 H22 Br N5 O3 |
| Smiles: | CC(C)N1C=NC2=NC(COc3cc(ccc3C)NC(c3cccc(c3)[Br])=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5192 |
| logD: | 3.1757 |
| logSw: | -3.7334 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.854 |
| InChI Key: | XEZLMFRSUCULTI-UHFFFAOYSA-N |