4-ethoxy-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
Chemical Structure Depiction of
4-ethoxy-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
4-ethoxy-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
Compound characteristics
Compound ID: | 2026-3718 |
Compound Name: | 4-ethoxy-N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide |
Molecular Weight: | 529.29 |
Molecular Formula: | C22 H16 I N3 O5 |
Smiles: | CCOc1ccc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)nc(c1cccc(c1)I)o2)=O |
Stereo: | ACHIRAL |
logP: | 5.5396 |
logD: | 5.5314 |
logSw: | -5.4589 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.431 |
InChI Key: | UIZVPVRIFGVARQ-UHFFFAOYSA-N |