N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1550-0995 |
| Compound Name: | N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide |
| Molecular Weight: | 438.24 |
| Molecular Formula: | C20 H12 Br N3 O4 |
| Smiles: | c1cc(cc(c1)[Br])c1nc2cc(ccc2o1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2408 |
| logD: | 5.239 |
| logSw: | -5.5306 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.521 |
| InChI Key: | ZSTQIYSWDCJRNG-UHFFFAOYSA-N |