2-[({2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-methoxy-4-nitrophenol
Chemical Structure Depiction of
2-[({2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-methoxy-4-nitrophenol
2-[({2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-methoxy-4-nitrophenol
Compound characteristics
| Compound ID: | 1550-0256 |
| Compound Name: | 2-[({2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-methoxy-4-nitrophenol |
| Molecular Weight: | 437.84 |
| Molecular Formula: | C22 H16 Cl N3 O5 |
| Smiles: | COc1cc(cc(/C=N/c2ccc3c(c2)nc(Cc2ccc(cc2)[Cl])o3)c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1878 |
| logD: | 3.021 |
| logSw: | -5.3796 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.333 |
| InChI Key: | WUAQNZIWXGTJGU-UHFFFAOYSA-N |