3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethoxyphenyl)propanamide
Chemical Structure Depiction of
3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethoxyphenyl)propanamide
3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | D527-0037 |
| Compound Name: | 3-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethoxyphenyl)propanamide |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C24 H25 N5 O3 |
| Smiles: | [H]C([H])([H])N1C(C)=C(CCC(Nc2ccc(cc2)OCC)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6032 |
| logD: | 3.6032 |
| logSw: | -3.6484 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.521 |
| InChI Key: | OKSYSJVLSJNLKR-UHFFFAOYSA-N |