N-(4-chlorophenyl)-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-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(4-chlorophenyl)-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: | C301-0577 |
| Compound Name: | N-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 389.75 |
| Molecular Formula: | C16 H12 Cl N5 O5 |
| Smiles: | C1COc2cc(ccc2O1)n1nc(c(Nc2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6554 |
| logD: | 2.6554 |
| logSw: | -3.5898 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.907 |
| InChI Key: | CIPODXDHKDAWJH-UHFFFAOYSA-N |