N-(4-chlorophenyl)-3,4-dimethoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-3,4-dimethoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
N-(4-chlorophenyl)-3,4-dimethoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | D433-0969 |
| Compound Name: | N-(4-chlorophenyl)-3,4-dimethoxy-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide |
| Molecular Weight: | 453.88 |
| Molecular Formula: | C22 H20 Cl N5 O4 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(c1ccc(c(c1)OC)OC)=O)c1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5355 |
| logD: | -0.1171 |
| logSw: | -3.5467 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.607 |
| InChI Key: | HZQXAZYRVMVGNZ-UHFFFAOYSA-N |