4-bromo-2-({[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
4-bromo-2-({[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
4-bromo-2-({[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | 8002-0312 |
| Compound Name: | 4-bromo-2-({[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol |
| Molecular Weight: | 452.26 |
| Molecular Formula: | C21 H14 Br N3 O4 |
| Smiles: | Cc1cccc(c1)c1nc2cc(ccc2o1)/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.1093 |
| logD: | 3.9341 |
| logSw: | -5.5685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.736 |
| InChI Key: | RFBSXTOBLSMFJB-UHFFFAOYSA-N |