N-(2-methylpropyl)-3-nitro-N-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide
Chemical Structure Depiction of
N-(2-methylpropyl)-3-nitro-N-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide
N-(2-methylpropyl)-3-nitro-N-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide
Compound characteristics
| Compound ID: | V015-6657 |
| Compound Name: | N-(2-methylpropyl)-3-nitro-N-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)benzamide |
| Molecular Weight: | 462.43 |
| Molecular Formula: | C22 H21 F3 N4 O4 |
| Smiles: | CC(C)CN(CCc1nc(c2cccc(c2)C(F)(F)F)no1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3787 |
| logD: | 5.3787 |
| logSw: | -5.6141 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.152 |
| InChI Key: | PAEIFMYGWBUBLP-UHFFFAOYSA-N |