2-({[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-ethoxy-4-nitrophenol
Chemical Structure Depiction of
2-({[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-ethoxy-4-nitrophenol
2-({[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-ethoxy-4-nitrophenol
Compound characteristics
| Compound ID: | 0957-0071 |
| Compound Name: | 2-({[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-ethoxy-4-nitrophenol |
| Molecular Weight: | 455.83 |
| Molecular Formula: | C22 H15 Cl F N3 O5 |
| Smiles: | CCOc1cc(cc(/C=N/c2ccc3c(c2)nc(c2ccc(cc2[Cl])F)o3)c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7077 |
| logD: | 3.8193 |
| logSw: | -5.7145 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.247 |
| InChI Key: | LBYHIBJASLSVMW-UHFFFAOYSA-N |