N-[(2-methoxyphenyl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-[(2-methoxyphenyl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C323-0031 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 341.32 |
| Molecular Formula: | C16 H15 N5 O4 |
| Smiles: | COc1ccccc1CNc1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6657 |
| logD: | 2.6657 |
| logSw: | -2.8602 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.036 |
| InChI Key: | DBFXVDSUQDCDTJ-UHFFFAOYSA-N |