3-(2H-1,3-benzodioxol-5-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 8017-7791 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-(4-chloro-3-nitrophenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 345.7 |
| Molecular Formula: | C15 H8 Cl N3 O5 |
| Smiles: | C1Oc2ccc(cc2O1)c1nc(c2ccc(c(c2)[N+]([O-])=O)[Cl])on1 |
| Stereo: | ACHIRAL |
| logP: | 4.2674 |
| logD: | 4.2674 |
| logSw: | -4.6139 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.84 |
| InChI Key: | ZVCNESJSTAZVLI-UHFFFAOYSA-N |