4-chloro-2-[({2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-nitrophenol
Chemical Structure Depiction of
4-chloro-2-[({2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-nitrophenol
4-chloro-2-[({2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-nitrophenol
Compound characteristics
| Compound ID: | 1287-0180 |
| Compound Name: | 4-chloro-2-[({2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl}imino)methyl]-6-nitrophenol |
| Molecular Weight: | 436.85 |
| Molecular Formula: | C22 H17 Cl N4 O4 |
| Smiles: | CN(C)c1ccc(cc1)c1nc2cc(ccc2o1)/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4913 |
| logD: | 3.2681 |
| logSw: | -5.6754 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.541 |
| InChI Key: | ITXPQANQKUWNHD-UHFFFAOYSA-N |