4-bromo-2-({[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
4-bromo-2-({[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-6-nitrophenol
4-bromo-2-({[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | 8005-1190 |
| Compound Name: | 4-bromo-2-({[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-6-nitrophenol |
| Molecular Weight: | 482.29 |
| Molecular Formula: | C22 H16 Br N3 O5 |
| Smiles: | CCc1ccc2c(c1)nc(c1cc(ccc1O)/N=C\c1cc(cc(c1O)[N+]([O-])=O)[Br])o2 |
| Stereo: | ACHIRAL |
| logP: | 6.7368 |
| logD: | 4.5615 |
| logSw: | -5.6734 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.284 |
| InChI Key: | HWOHVONTDBGGKW-UHFFFAOYSA-N |