3-nitro-N-(2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide
Chemical Structure Depiction of
3-nitro-N-(2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide
3-nitro-N-(2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide
Compound characteristics
| Compound ID: | V027-2132 |
| Compound Name: | 3-nitro-N-(2-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide |
| Molecular Weight: | 406.32 |
| Molecular Formula: | C18 H13 F3 N4 O4 |
| Salt: | not_available |
| Smiles: | C(CNC(c1cccc(c1)[N+]([O-])=O)=O)c1nc(c2ccc(cc2)C(F)(F)F)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.05 |
| logD: | 4.05 |
| logSw: | -4.3608 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.218 |
| InChI Key: | WPUIKWCKIZWTNP-UHFFFAOYSA-N |