N-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C437-0050 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 448.23 |
| Molecular Formula: | C17 H14 Br N5 O5 |
| Smiles: | Cc1cc(ccc1[Br])Nc1c(nn(c2ccc3c(c2)OCCO3)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2353 |
| logD: | 3.2353 |
| logSw: | -3.3574 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.907 |
| InChI Key: | WGXJIZHRRGXOHI-UHFFFAOYSA-N |