N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide
Chemical Structure Depiction of
N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide
N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide
Compound characteristics
| Compound ID: | 2081-1737 |
| Compound Name: | N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide |
| Molecular Weight: | 475.2 |
| Molecular Formula: | C18 H10 I N3 O5 |
| Smiles: | c1cc(ccc1c1nc2cc(ccc2o1)NC(c1ccc([N+]([O-])=O)o1)=O)I |
| Stereo: | ACHIRAL |
| logP: | 4.9717 |
| logD: | 4.963 |
| logSw: | -5.1038 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.8 |
| InChI Key: | KKHBQOQQRHTCHC-UHFFFAOYSA-N |