N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide
N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1315-0417 |
| Compound Name: | N-[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 515.26 |
| Molecular Formula: | C21 H14 I N3 O5 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)nc(c1cccc(c1)I)o2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0764 |
| logD: | 5.0682 |
| logSw: | -5.0208 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.851 |
| InChI Key: | USJJECIXLFSOSP-UHFFFAOYSA-N |