2-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)acetamide
2-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | D433-1038 |
| Compound Name: | 2-(4-chlorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C22 H20 Cl N5 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(Cc1ccc(cc1)[Cl])=O)c1cccc(C)c1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8259 |
| logD: | 1.1732 |
| logSw: | -4.2417 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.819 |
| InChI Key: | FCEFZNFUVUSRIB-UHFFFAOYSA-N |