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)-2-(3-methylphenoxy)propanamide
Chemical Structure Depiction of
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)-2-(3-methylphenoxy)propanamide
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)-2-(3-methylphenoxy)propanamide
Compound characteristics
| Compound ID: | D439-4162 |
| Compound Name: | 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)-2-(3-methylphenoxy)propanamide |
| Molecular Weight: | 475.55 |
| Molecular Formula: | C26 H29 N5 O4 |
| Smiles: | CC(C)N1C=NC2=NC(COc3cc(ccc3C)NC(C(C)Oc3cccc(C)c3)=O)=CC(N12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3282 |
| logD: | 2.9848 |
| logSw: | -3.4895 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.643 |
| InChI Key: | YLMMRFVNICZXSW-IBGZPJMESA-N |