{4-[2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperazin-1-yl}(furan-2-yl)methanone
Chemical Structure Depiction of
{4-[2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperazin-1-yl}(furan-2-yl)methanone
{4-[2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperazin-1-yl}(furan-2-yl)methanone
Compound characteristics
| Compound ID: | C301-1161 |
| Compound Name: | {4-[2-(3-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperazin-1-yl}(furan-2-yl)methanone |
| Molecular Weight: | 418.79 |
| Molecular Formula: | C17 H15 Cl N6 O5 |
| Smiles: | C1CN(CCN1C(c1ccco1)=O)c1c(nn(c2cccc(c2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5177 |
| logD: | 2.5177 |
| logSw: | -3.0609 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 94.792 |
| InChI Key: | AMCXEJRACJQITK-UHFFFAOYSA-N |