N-(3-bromo-4-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(3-bromo-4-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(3-bromo-4-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
Compound ID: | C301-1359 |
Compound Name: | N-(3-bromo-4-methylphenyl)-2-(4-methoxyphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
Molecular Weight: | 420.22 |
Molecular Formula: | C16 H14 Br N5 O4 |
Smiles: | Cc1ccc(cc1[Br])Nc1c(nn(c2ccc(cc2)OC)[n+]1[O-])[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.0706 |
logD: | 4.0706 |
logSw: | -4.2725 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.627 |
InChI Key: | WFHHTDIXLPIURL-UHFFFAOYSA-N |