N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
Compound ID: | C437-0238 |
Compound Name: | N-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
Molecular Weight: | 387.35 |
Molecular Formula: | C17 H17 N5 O6 |
Smiles: | COc1ccc(cc1)n1nc(c(Nc2cc(cc(c2)OC)OC)[n+]1[O-])[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.1176 |
logD: | 3.1176 |
logSw: | -3.4682 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 98.715 |
InChI Key: | PFRHLGQOKRKVGQ-UHFFFAOYSA-N |