N-(2-methoxy-5-nitrophenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-(2-methoxy-5-nitrophenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C359-0052 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 372.29 |
| Molecular Formula: | C15 H12 N6 O6 |
| Smiles: | COc1ccc(cc1Nc1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.783 |
| logD: | 2.7829 |
| logSw: | -3.336 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.398 |
| InChI Key: | GMSROMMXDIUUEF-UHFFFAOYSA-N |