2-({[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-methoxy-4-nitrophenol
Chemical Structure Depiction of
2-({[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-methoxy-4-nitrophenol
2-({[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-methoxy-4-nitrophenol
Compound characteristics
| Compound ID: | 1315-0429 |
| Compound Name: | 2-({[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-methoxy-4-nitrophenol |
| Molecular Weight: | 468.26 |
| Molecular Formula: | C21 H14 Br N3 O5 |
| Smiles: | COc1cc(cc(/C=N/c2ccc3c(c2)nc(c2ccccc2[Br])o3)c1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6504 |
| logD: | 2.4836 |
| logSw: | -4.4763 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.667 |
| InChI Key: | GRZTXKQFQQJZKX-UHFFFAOYSA-N |