N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide
Compound characteristics
Compound ID: | C599-0087 |
Compound Name: | N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide |
Molecular Weight: | 380.4 |
Molecular Formula: | C20 H20 N4 O4 |
Smiles: | CC(C)N(Cc1nc(c2cccc(C)c2)no1)C(c1cccc(c1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5108 |
logD: | 4.5108 |
logSw: | -4.4322 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 80.918 |
InChI Key: | RXBAQXILGARJGL-UHFFFAOYSA-N |