N-[(furan-2-yl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-[(furan-2-yl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C437-0365 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 331.29 |
| Molecular Formula: | C14 H13 N5 O5 |
| Smiles: | COc1ccc(cc1)n1nc(c(NCc2ccco2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2989 |
| logD: | 2.2989 |
| logSw: | -2.4749 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.698 |
| InChI Key: | ARDPSGVCUMZREZ-UHFFFAOYSA-N |