N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1315-0392 |
| Compound Name: | N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C23 H19 N3 O5 |
| Smiles: | Cc1cc(C)c2c(c1)nc(c1ccc(cc1)NC(c1ccc(c(c1)[N+]([O-])=O)OC)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.765 |
| logD: | 4.7648 |
| logSw: | -4.6699 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.084 |
| InChI Key: | AZDSFYYZPMUXEM-UHFFFAOYSA-N |