N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1209-0048 |
| Compound Name: | N-[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C25 H23 N3 O4 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1ccc(cc1)c1nc2cc(ccc2o1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3824 |
| logD: | 6.3823 |
| logSw: | -5.5115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | DCIRKYSQLIWVEQ-UHFFFAOYSA-N |