3,4-dibromo-2-({[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-methoxyphenol
Chemical Structure Depiction of
3,4-dibromo-2-({[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-methoxyphenol
3,4-dibromo-2-({[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-methoxyphenol
Compound characteristics
| Compound ID: | 0781-2935 |
| Compound Name: | 3,4-dibromo-2-({[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-methoxyphenol |
| Molecular Weight: | 662.5 |
| Molecular Formula: | C21 H12 Br2 Cl I N2 O3 |
| Smiles: | COc1cc(c(c(/C=N/c2ccc3c(c2)nc(c2cc(ccc2[Cl])I)o3)c1O)[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.829 |
| logD: | 7.361 |
| logSw: | -6.3989 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.286 |
| InChI Key: | ZPAFCRWWFNUYCY-UHFFFAOYSA-N |