4-chloro-N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-chloro-N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
4-chloro-N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | D433-1067 |
| Compound Name: | 4-chloro-N-(4-ethoxyphenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide |
| Molecular Weight: | 437.88 |
| Molecular Formula: | C22 H20 Cl N5 O3 |
| Smiles: | CCOc1ccc(cc1)N(Cc1nc2NC(C)=CC(n2n1)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3643 |
| logD: | 0.7117 |
| logSw: | -3.783 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.47 |
| InChI Key: | JSGZCMBVRCWEEQ-UHFFFAOYSA-N |