N-benzyl-N-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-benzyl-N-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitrobenzamide
N-benzyl-N-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V029-9948 |
| Compound Name: | N-benzyl-N-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitrobenzamide |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C26 H24 N4 O6 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1OC)c1nc(CCN(Cc2ccccc2)C(c2cccc(c2)[N+]([O-])=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.3066 |
| logD: | 4.3066 |
| logSw: | -4.4746 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 96.142 |
| InChI Key: | CYSQRPZERKAHIZ-UHFFFAOYSA-N |