3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-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-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1,3-thiazol-2-yl)propanamide
3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1,3-thiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | D527-0392 |
| Compound Name: | 3-[5-methyl-7-oxo-2-phenyl-4-(prop-2-en-1-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(1,3-thiazol-2-yl)propanamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C21 H20 N6 O2 S |
| Smiles: | [H]C([H])(C=C)N1C(C)=C(CCC(Nc2nccs2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1239 |
| logD: | 3.1199 |
| logSw: | -3.2621 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.089 |
| InChI Key: | FBQFQGLQRHGEJF-UHFFFAOYSA-N |