2-(4-methoxyphenyl)-N-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-methoxyphenyl)-N-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-methoxyphenyl)-N-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
Compound ID: | C301-0561 |
Compound Name: | 2-(4-methoxyphenyl)-N-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
Molecular Weight: | 341.32 |
Molecular Formula: | C16 H15 N5 O4 |
Smiles: | Cc1cccc(c1)Nc1c(nn(c2ccc(cc2)OC)[n+]1[O-])[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 3.3385 |
logD: | 3.3385 |
logSw: | -3.5412 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.627 |
InChI Key: | HWYVEWPEWVXWEV-UHFFFAOYSA-N |