N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide
Compound characteristics
Compound ID: | 4402-0846 |
Compound Name: | N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-methyl-3-nitrobenzamide |
Molecular Weight: | 401.42 |
Molecular Formula: | C23 H19 N3 O4 |
Smiles: | CCc1ccc2c(c1)nc(c1ccc(cc1)NC(c1cccc(c1C)[N+]([O-])=O)=O)o2 |
Stereo: | ACHIRAL |
logP: | 5.4445 |
logD: | 5.4433 |
logSw: | -5.4473 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.22 |
InChI Key: | FYTQMUPAYUATLD-UHFFFAOYSA-N |