1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-(4-nitrophenyl)piperazine
Chemical Structure Depiction of
1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-(4-nitrophenyl)piperazine
1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-(4-nitrophenyl)piperazine
Compound characteristics
| Compound ID: | C301-4349 |
| Compound Name: | 1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-(4-nitrophenyl)piperazine |
| Molecular Weight: | 409.4 |
| Molecular Formula: | C20 H19 N5 O5 |
| Smiles: | C1CN(CCN1Cc1nnc(c2ccc3c(c2)OCO3)o1)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7722 |
| logD: | 2.7721 |
| logSw: | -3.1026 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.91 |
| InChI Key: | VFZIKPVRIPAAID-UHFFFAOYSA-N |