N-(5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-nitrobenzamide
Chemical Structure Depiction of
N-(5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-nitrobenzamide
N-(5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | 4826-0414 |
| Compound Name: | N-(5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-nitrobenzamide |
| Molecular Weight: | 436.43 |
| Molecular Formula: | C24 H16 N6 O3 |
| Smiles: | c1ccc(cc1)c1cc(c2ccccc2)n2c(n1)nc(NC(c1cccc(c1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.1902 |
| logD: | 5.1529 |
| logSw: | -5.4163 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.116 |
| InChI Key: | BONNVDZWDSRAQP-UHFFFAOYSA-N |