4-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
Chemical Structure Depiction of
4-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
4-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1140-0117 |
| Compound Name: | 4-methoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide |
| Molecular Weight: | 403.39 |
| Molecular Formula: | C22 H17 N3 O5 |
| Smiles: | Cc1ccc(cc1)c1nc2cc(ccc2o1)NC(c1ccc(c(c1)[N+]([O-])=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4686 |
| logD: | 4.4604 |
| logSw: | -4.4526 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.851 |
| InChI Key: | ZPARNYIMONBDJY-UHFFFAOYSA-N |