2-({[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-methyl-6-nitrophenol
Chemical Structure Depiction of
2-({[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-methyl-6-nitrophenol
2-({[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-methyl-6-nitrophenol
Compound characteristics
| Compound ID: | 8002-1083 |
| Compound Name: | 2-({[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4-methyl-6-nitrophenol |
| Molecular Weight: | 452.26 |
| Molecular Formula: | C21 H14 Br N3 O4 |
| Smiles: | Cc1cc(/C=N/c2ccc3c(c2)nc(c2cccc(c2)[Br])o3)c(c(c1)[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.0246 |
| logD: | 4.5621 |
| logSw: | -5.6136 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.736 |
| InChI Key: | GFXWFSSYLSOGQX-UHFFFAOYSA-N |