3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
Chemical Structure Depiction of
3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | D527-0194 |
| Compound Name: | 3-(4-ethyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide |
| Molecular Weight: | 422.51 |
| Molecular Formula: | C21 H22 N6 O2 S |
| Smiles: | [H]C([H])([H])C([H])([H])N1C(C)=C(CCC(Nc2ncc(C)s2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8618 |
| logD: | 3.8169 |
| logSw: | -3.765 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.925 |
| InChI Key: | SSRMTELXZDWVPG-UHFFFAOYSA-N |