3-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide
Chemical Structure Depiction of
3-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide
3-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | D527-0492 |
| Compound Name: | 3-(4-benzyl-5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1,3-thiazol-2-yl)propanamide |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C25 H22 N6 O2 S |
| Smiles: | [H]C([H])(c1ccccc1)N1C(C)=C(CCC(Nc2nccs2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.24 |
| logD: | 4.2361 |
| logSw: | -4.2555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.839 |
| InChI Key: | GFSJZHGUTSNXET-UHFFFAOYSA-N |