N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitro-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitro-N-(propan-2-yl)benzamide
N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitro-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V029-2640 |
| Compound Name: | N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitro-N-(propan-2-yl)benzamide |
| Molecular Weight: | 424.41 |
| Molecular Formula: | C21 H20 N4 O6 |
| Salt: | not_available |
| Smiles: | CC(C)N(CCc1nc(c2ccc3c(c2)OCO3)no1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4326 |
| logD: | 4.4326 |
| logSw: | -4.4061 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 98.012 |
| InChI Key: | LBSACMQONOIJNT-UHFFFAOYSA-N |