2-({[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-4-benzyl-6-nitrophenol
Chemical Structure Depiction of
2-({[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-4-benzyl-6-nitrophenol
2-({[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-4-benzyl-6-nitrophenol
Compound characteristics
| Compound ID: | 1812-0642 |
| Compound Name: | 2-({[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]imino}methyl)-4-benzyl-6-nitrophenol |
| Molecular Weight: | 465.46 |
| Molecular Formula: | C27 H19 N3 O5 |
| Smiles: | C(c1ccccc1)c1cc(/C=N/c2ccc(c(c2)c2nc3ccccc3o2)O)c(c(c1)[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.9151 |
| logD: | 5.1129 |
| logSw: | -6.0515 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.012 |
| InChI Key: | YMCNBPHHUGOEJP-UHFFFAOYSA-N |