N-[1-(4-butoxyphenyl)ethyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-[1-(4-butoxyphenyl)ethyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-[1-(4-butoxyphenyl)ethyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C360-0091 |
| Compound Name: | N-[1-(4-butoxyphenyl)ethyl]-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C21 H25 N5 O4 |
| Smiles: | CCCCOc1ccc(cc1)C(C)Nc1c(nn(c2ccccc2C)[n+]1[O-])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8357 |
| logD: | 4.8357 |
| logSw: | -4.4849 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.686 |
| InChI Key: | MGBUROCDVGDVAV-INIZCTEOSA-N |