N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | D433-0430 |
| Compound Name: | N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(2-methoxyphenyl)-3-nitrobenzamide |
| Molecular Weight: | 432.44 |
| Molecular Formula: | C22 H20 N6 O4 |
| Smiles: | Cc1cc(C)n2c(n1)nc(CN(C(c1cccc(c1)[N+]([O-])=O)=O)c1ccccc1OC)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.5824 |
| logD: | 2.5824 |
| logSw: | -2.915 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.882 |
| InChI Key: | GBHATHDJOVGCKR-UHFFFAOYSA-N |