2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-N-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-N-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-N-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0497 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-N-phenyl-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 355.31 |
| Molecular Formula: | C16 H13 N5 O5 |
| Smiles: | C1COc2cc(ccc2O1)n1nc(c(Nc2ccccc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.869 |
| logD: | 1.869 |
| logSw: | -2.361 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.907 |
| InChI Key: | FXHJIMQXQWJNSM-UHFFFAOYSA-N |