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]-N-(1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
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]-N-(1,3-thiazol-2-yl)acetamide
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]-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
Compound ID: | D584-0192 |
Compound Name: | 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]-N-(1,3-thiazol-2-yl)acetamide |
Molecular Weight: | 406.46 |
Molecular Formula: | C20 H18 N6 O2 S |
Smiles: | [H]C([H])(C=C)N1C(C)=C(CC(Nc2nccs2)=O)C(n2c1nc(c1ccccc1)n2)=O |
Stereo: | ACHIRAL |
logP: | 2.9863 |
logD: | 2.9859 |
logSw: | -3.2513 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.089 |
InChI Key: | KMSNPFFMLCGQRS-UHFFFAOYSA-N |