N-[(3-methoxyphenyl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-[(3-methoxyphenyl)methyl]-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C359-0089 |
| Compound Name: | N-[(3-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: | COc1cccc(CNc2c(nn(c3ccccc3)[n+]2[O-])[N+]([O-])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.5416 |
| logD: | 2.5416 |
| logSw: | -2.7221 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.949 |
| InChI Key: | JKHVTJVKAVQCDR-UHFFFAOYSA-N |