3,3-dimethyl-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide
Chemical Structure Depiction of
3,3-dimethyl-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide
3,3-dimethyl-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide
Compound characteristics
| Compound ID: | V029-4430 |
| Compound Name: | 3,3-dimethyl-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide |
| Molecular Weight: | 332.36 |
| Molecular Formula: | C16 H20 N4 O4 |
| Smiles: | CC(C)(C)CC(NCCc1nc(c2cccc(c2)[N+]([O-])=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2452 |
| logD: | 3.2452 |
| logSw: | -3.5298 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.276 |
| InChI Key: | LRUQDBLHNSBMDU-UHFFFAOYSA-N |