4-chloro-2-({[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
4-chloro-2-({[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol
4-chloro-2-({[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | 0808-0083 |
| Compound Name: | 4-chloro-2-({[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C22 H16 Cl N3 O4 |
| Smiles: | Cc1ccc2c(c1)nc(c1cccc(c1C)/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Cl])o2 |
| Stereo: | ACHIRAL |
| logP: | 6.0118 |
| logD: | 3.7887 |
| logSw: | -5.7719 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.038 |
| InChI Key: | VFNCNVVPZYRKFT-UHFFFAOYSA-N |