N-(5-chloro-2-methylphenyl)-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]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-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]acetamide
N-(5-chloro-2-methylphenyl)-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]acetamide
Compound characteristics
| Compound ID: | D584-0126 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-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]acetamide |
| Molecular Weight: | 447.92 |
| Molecular Formula: | C24 H22 Cl N5 O2 |
| Smiles: | [H]C([H])(C=C)N1C(C)=C(CC(Nc2cc(ccc2C)[Cl])=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2776 |
| logD: | 4.2774 |
| logSw: | -4.4992 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.912 |
| InChI Key: | LFMOIEGUPMAEBA-UHFFFAOYSA-N |