4-bromo-2-({[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
4-bromo-2-({[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol
4-bromo-2-({[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | 8005-7585 |
| Compound Name: | 4-bromo-2-({[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol |
| Molecular Weight: | 452.26 |
| Molecular Formula: | C21 H14 Br N3 O4 |
| Smiles: | Cc1cccc2c1nc(c1ccc(cc1)/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Br])o2 |
| Stereo: | ACHIRAL |
| logP: | 6.2386 |
| logD: | 4.0633 |
| logSw: | -5.5809 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.506 |
| InChI Key: | VXRMMGXHDUMGAP-UHFFFAOYSA-N |