1-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)azepane
Chemical Structure Depiction of
1-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)azepane
1-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)azepane
Compound characteristics
| Compound ID: | C359-0146 |
| Compound Name: | 1-(5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-yl)azepane |
| Molecular Weight: | 303.32 |
| Molecular Formula: | C14 H17 N5 O3 |
| Smiles: | C1CCCN(CC1)c1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0751 |
| logD: | 3.0751 |
| logSw: | -3.2172 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.088 |
| InChI Key: | DKOQWLZWNFTSNX-UHFFFAOYSA-N |