N-(3-chloro-4-methylphenyl)-2-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
N-(3-chloro-4-methylphenyl)-2-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
Compound characteristics
| Compound ID: | D584-0041 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-(4,5-dimethyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C22 H20 Cl N5 O2 |
| Smiles: | [H]C([H])([H])N1C(C)=C(CC(Nc2ccc(C)c(c2)[Cl])=O)C(n2c1nc(c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4869 |
| logD: | 4.4867 |
| logSw: | -4.5292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.398 |
| InChI Key: | QSPUQQMQPCUQJZ-UHFFFAOYSA-N |