N-benzyl-3,3-dimethyl-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide
Chemical Structure Depiction of
N-benzyl-3,3-dimethyl-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide
N-benzyl-3,3-dimethyl-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide
Compound characteristics
| Compound ID: | V030-0869 |
| Compound Name: | N-benzyl-3,3-dimethyl-N-{2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl}butanamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C23 H26 N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(N(CCc1nc(c2cccc(c2)[N+]([O-])=O)no1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3315 |
| logD: | 5.3315 |
| logSw: | -5.3596 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.625 |
| InChI Key: | GOPLIRPLBLLOGM-UHFFFAOYSA-N |