N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 2079-0030 |
| Compound Name: | N-[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide |
| Molecular Weight: | 488.3 |
| Molecular Formula: | C24 H14 Br N3 O4 |
| Smiles: | c1cc(c2cccc(c2c1)[Br])c1nc2cc(ccc2o1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1383 |
| logD: | 6.1365 |
| logSw: | -6.3223 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.25 |
| InChI Key: | YULLWLMIPRONRH-UHFFFAOYSA-N |