4-chloro-2-({[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
4-chloro-2-({[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol
4-chloro-2-({[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | 8005-7822 |
| Compound Name: | 4-chloro-2-({[3-(4-methyl-1,3-benzoxazol-2-yl)phenyl]imino}methyl)-6-nitrophenol |
| Molecular Weight: | 407.81 |
| Molecular Formula: | C21 H14 Cl N3 O4 |
| Smiles: | Cc1cccc2c1nc(c1cccc(c1)/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Cl])o2 |
| Stereo: | ACHIRAL |
| logP: | 5.8606 |
| logD: | 3.6375 |
| logSw: | -5.8271 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.506 |
| InChI Key: | DEHUQWWTSYJPOR-UHFFFAOYSA-N |