N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C323-0033 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 355.31 |
| Molecular Formula: | C16 H13 N5 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3574 |
| logD: | 2.3574 |
| logSw: | -2.687 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.521 |
| InChI Key: | VIKRFDXJVGPOLM-UHFFFAOYSA-N |