N-{2-methyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}-4-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{2-methyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}-4-(trifluoromethyl)benzamide
N-{2-methyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | V029-4383 |
| Compound Name: | N-{2-methyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butyl}-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 448.4 |
| Molecular Formula: | C21 H19 F3 N4 O4 |
| Salt: | not_available |
| Smiles: | CCC(C)C(c1nc(c2ccc(cc2)[N+]([O-])=O)no1)NC(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9645 |
| logD: | 5.9644 |
| logSw: | -5.6104 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.063 |
| InChI Key: | QMBJFHMITMHVLH-UHFFFAOYSA-N |