4-bromo-2-({[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
4-bromo-2-({[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
4-bromo-2-({[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | 8005-0532 |
| Compound Name: | 4-bromo-2-({[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol |
| Molecular Weight: | 564.13 |
| Molecular Formula: | C20 H11 Br I N3 O4 |
| Smiles: | C(\c1cc(cc(c1O)[N+]([O-])=O)[Br])=N/c1ccc2c(c1)nc(c1cccc(c1)I)o2 |
| Stereo: | ACHIRAL |
| logP: | 6.8497 |
| logD: | 4.6745 |
| logSw: | -6.1923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.736 |
| InChI Key: | JPMXZMSSQGQNBC-UHFFFAOYSA-N |