N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-nitrobenzamide
N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-nitrobenzamide
Compound characteristics
Compound ID: | V030-4990 |
Compound Name: | N-{2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-nitrobenzamide |
Molecular Weight: | 473.32 |
Molecular Formula: | C21 H21 Br N4 O4 |
Salt: | not_available |
Smiles: | CCCCN(CCc1nc(c2ccc(cc2)[Br])no1)C(c1cccc(c1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.4354 |
logD: | 5.4354 |
logSw: | -5.3849 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 81.131 |
InChI Key: | OPWZUDMXVQWIEE-UHFFFAOYSA-N |