N-butyl-N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-butyl-N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-nitrobenzamide
N-butyl-N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | D433-0526 |
| Compound Name: | N-butyl-N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-nitrobenzamide |
| Molecular Weight: | 382.42 |
| Molecular Formula: | C19 H22 N6 O3 |
| Smiles: | CCCCN(Cc1nc2nc(C)cc(C)n2n1)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.437 |
| logD: | 2.437 |
| logSw: | -2.7888 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.391 |
| InChI Key: | HLUQFPXIKGUBQN-UHFFFAOYSA-N |