4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-nitrobenzene-1-sulfonyl)piperidine
Chemical Structure Depiction of
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-nitrobenzene-1-sulfonyl)piperidine
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-nitrobenzene-1-sulfonyl)piperidine
Compound characteristics
Compound ID: | C614-5580 |
Compound Name: | 4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-(2-nitrobenzene-1-sulfonyl)piperidine |
Molecular Weight: | 444.46 |
Molecular Formula: | C20 H20 N4 O6 S |
Smiles: | COc1ccccc1c1nnc(C2CCN(CC2)S(c2ccccc2[N+]([O-])=O)(=O)=O)o1 |
Stereo: | ACHIRAL |
logP: | 2.7729 |
logD: | 2.7729 |
logSw: | -3.5826 |
Hydrogen bond acceptors count: | 13 |
Polar surface area: | 102.905 |
InChI Key: | OHVJKDLZNIHGIO-UHFFFAOYSA-N |