4-nitro-N-(7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Chemical Structure Depiction of
4-nitro-N-(7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
4-nitro-N-(7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Compound characteristics
| Compound ID: | 5454-0114 |
| Compound Name: | 4-nitro-N-(7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide |
| Molecular Weight: | 360.33 |
| Molecular Formula: | C18 H12 N6 O3 |
| Smiles: | c1ccc(cc1)c1ccnc2nc(NC(c3ccc(cc3)[N+]([O-])=O)=O)nn12 |
| Stereo: | ACHIRAL |
| logP: | 2.9368 |
| logD: | 2.9318 |
| logSw: | -3.681 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.82 |
| InChI Key: | SKOWKBLVRAAEFX-UHFFFAOYSA-N |