2-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
2-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide
2-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | C599-0327 |
| Compound Name: | 2-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C21 H22 N4 O4 |
| Smiles: | CC(C)N(Cc1nc(c2cccc(C)c2)no1)C(c1cccc(c1C)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9613 |
| logD: | 4.9613 |
| logSw: | -4.7473 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.617 |
| InChI Key: | WGCLAUMKMONDEW-UHFFFAOYSA-N |