4-bromo-2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
4-bromo-2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl)-6-nitrophenol
4-bromo-2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | 8004-4191 |
| Compound Name: | 4-bromo-2-({[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]imino}methyl)-6-nitrophenol |
| Molecular Weight: | 494.34 |
| Molecular Formula: | C24 H20 Br N3 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2ccc(cc2o1)/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.6526 |
| logD: | 5.4773 |
| logSw: | -5.6786 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.736 |
| InChI Key: | FFCPYVHNZUIJIM-UHFFFAOYSA-N |