N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1140-0118 |
| Compound Name: | N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C25 H23 N3 O5 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2cc(ccc2o1)NC(c1ccc(c(c1)[N+]([O-])=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8396 |
| logD: | 5.8314 |
| logSw: | -5.5042 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.851 |
| InChI Key: | HVIDVSAIJHBLMA-UHFFFAOYSA-N |