N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chloro-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chloro-3-nitrobenzamide
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chloro-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2783-5178 |
| Compound Name: | N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chloro-3-nitrobenzamide |
| Molecular Weight: | 472.68 |
| Molecular Formula: | C20 H11 Br Cl N3 O4 |
| Smiles: | c1ccc(c(c1)c1nc2cc(ccc2o1)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0281 |
| logD: | 4.9027 |
| logSw: | -5.3017 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | XKSQIRIZTZEDOF-UHFFFAOYSA-N |