3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide
Compound characteristics
| Compound ID: | D527-1016 |
| Compound Name: | 3-[2-(4-chlorophenyl)-4,5-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethylphenyl)propanamide |
| Molecular Weight: | 449.94 |
| Molecular Formula: | C24 H24 Cl N5 O2 |
| Smiles: | [H]C([H])([H])N1C(C)=C(CCC(Nc2ccc(CC)cc2)=O)C(n2c1nc(c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8647 |
| logD: | 4.8647 |
| logSw: | -4.8086 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.398 |
| InChI Key: | PBCFHASLWVKMEQ-UHFFFAOYSA-N |