1-(3-{[2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]amino}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-{[2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]amino}phenyl)ethan-1-one
1-(3-{[2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]amino}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | C301-1163 |
| Compound Name: | 1-(3-{[2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]amino}phenyl)ethan-1-one |
| Molecular Weight: | 373.75 |
| Molecular Formula: | C16 H12 Cl N5 O4 |
| Smiles: | CC(c1cccc(c1)Nc1c(nn(c2cccc(c2)[Cl])[n+]1[O-])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3458 |
| logD: | 3.3458 |
| logSw: | -3.778 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.91 |
| InChI Key: | WOLAWRSEQLPQSV-UHFFFAOYSA-N |