(furan-2-yl){4-[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(furan-2-yl){4-[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperazin-1-yl}methanone
(furan-2-yl){4-[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | C301-0402 |
| Compound Name: | (furan-2-yl){4-[2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 398.38 |
| Molecular Formula: | C18 H18 N6 O5 |
| Smiles: | Cc1cccc(c1)n1nc(c(N2CCN(CC2)C(c2ccco2)=O)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3766 |
| logD: | 2.3766 |
| logSw: | -2.4837 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 94.792 |
| InChI Key: | HPNLHDILXMKRJE-UHFFFAOYSA-N |