ethyl 4-methyl-2-{2-[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]acetamido}-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
ethyl 4-methyl-2-{2-[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]acetamido}-1,3-thiazole-5-carboxylate
ethyl 4-methyl-2-{2-[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]acetamido}-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | D584-0196 |
| Compound Name: | ethyl 4-methyl-2-{2-[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]acetamido}-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 492.56 |
| Molecular Formula: | C24 H24 N6 O4 S |
| Smiles: | [H]C([H])(C=C)N1C(C)=C(CC(Nc2nc(C)c(C(=O)OCC)s2)=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.94 |
| logD: | 3.902 |
| logSw: | -3.9471 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.987 |
| InChI Key: | RAXMZPHTRLGVMZ-UHFFFAOYSA-N |