N-[2-(butan-2-yl)phenyl]-3-methyl-2-nitrobenzamide
Chemical Structure Depiction of
N-[2-(butan-2-yl)phenyl]-3-methyl-2-nitrobenzamide
N-[2-(butan-2-yl)phenyl]-3-methyl-2-nitrobenzamide
Compound characteristics
Compound ID: | Y032-3259 |
Compound Name: | N-[2-(butan-2-yl)phenyl]-3-methyl-2-nitrobenzamide |
Molecular Weight: | 312.37 |
Molecular Formula: | C18 H20 N2 O3 |
Smiles: | CCC(C)c1ccccc1NC(c1cccc(C)c1[N+]([O-])=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.658 |
logD: | 4.6438 |
logSw: | -4.4323 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.411 |
InChI Key: | ZJSXHMRCMJOXCJ-LBPRGKRZSA-N |