(2E)-N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}-3-phenylprop-2-enamide
Chemical Structure Depiction of
(2E)-N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}-3-phenylprop-2-enamide
(2E)-N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | V029-1634 |
| Compound Name: | (2E)-N-{2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}-3-phenylprop-2-enamide |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C22 H22 N4 O4 |
| Salt: | not_available |
| Smiles: | CCC(C)C(c1nc(c2cccc(c2)[N+]([O-])=O)no1)NC(/C=C/c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5011 |
| logD: | 5.5011 |
| logSw: | -5.4176 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.849 |
| InChI Key: | WQUNWVKFISFUEB-UHFFFAOYSA-N |