N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide
N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | V027-6006 |
| Compound Name: | N-{2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide |
| Molecular Weight: | 536.97 |
| Molecular Formula: | C27 H25 Cl N4 O6 |
| Salt: | not_available |
| Smiles: | COc1ccc(CCN(CCc2nc(c3ccc(cc3)[Cl])no2)C(c2cccc(c2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.0126 |
| logD: | 5.0126 |
| logSw: | -5.3359 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 96.12 |
| InChI Key: | VUXLKLWIVLDEBI-UHFFFAOYSA-N |