N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1315-0161 |
| Compound Name: | N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C25 H23 N3 O4 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1ccc2c(c1)nc(c1ccc(cc1)C(C)(C)C)o2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7593 |
| logD: | 6.7531 |
| logSw: | -5.6306 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | UJLKRXKQQJNNNR-UHFFFAOYSA-N |