N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | V005-2888 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitro-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide |
| Molecular Weight: | 547.52 |
| Molecular Formula: | C27 H25 N5 O8 |
| Smiles: | COc1ccc(CCN(CCc2nc(c3cccc(c3)[N+]([O-])=O)no2)C(c2cccc(c2)[N+]([O-])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.362 |
| logD: | 4.362 |
| logSw: | -4.4648 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 129.502 |
| InChI Key: | FDASJGRZBFXOHM-UHFFFAOYSA-N |