4-ethoxy-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
Chemical Structure Depiction of
4-ethoxy-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
4-ethoxy-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
Compound characteristics
Compound ID: | 3791-0105 |
Compound Name: | 4-ethoxy-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide |
Molecular Weight: | 417.42 |
Molecular Formula: | C23 H19 N3 O5 |
Smiles: | CCOc1ccc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)nc(c1cccc(C)c1)o2)=O |
Stereo: | ACHIRAL |
logP: | 4.7992 |
logD: | 4.791 |
logSw: | -4.6029 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.431 |
InChI Key: | FLOHSILWSIUYAN-UHFFFAOYSA-N |