N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-chloro-5-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-chloro-5-nitrobenzamide
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-chloro-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2154-0457 |
| Compound Name: | N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-chloro-5-nitrobenzamide |
| Molecular Weight: | 449.89 |
| Molecular Formula: | C24 H20 Cl N3 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2cc(ccc2o1)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8132 |
| logD: | 6.6878 |
| logSw: | -6.4477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.521 |
| InChI Key: | YPQRJGPKHDEUNE-UHFFFAOYSA-N |