N-benzyl-N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-benzyl-N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-nitrobenzamide
N-benzyl-N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | D433-0576 |
| Compound Name: | N-benzyl-N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-nitrobenzamide |
| Molecular Weight: | 416.44 |
| Molecular Formula: | C22 H20 N6 O3 |
| Smiles: | Cc1cc(C)n2c(n1)nc(CN(Cc1ccccc1)C(c1ccc(cc1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.4862 |
| logD: | 2.4862 |
| logSw: | -2.8842 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.141 |
| InChI Key: | HQBUQEQABUOHMN-UHFFFAOYSA-N |