4-({[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl)phenyl 4-bromobenzoate
Chemical Structure Depiction of
4-({[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl)phenyl 4-bromobenzoate
4-({[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl)phenyl 4-bromobenzoate
Compound characteristics
| Compound ID: | 8006-2116 |
| Compound Name: | 4-({[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]imino}methyl)phenyl 4-bromobenzoate |
| Molecular Weight: | 515.34 |
| Molecular Formula: | C27 H16 Br F N2 O3 |
| Smiles: | C(\c1ccc(cc1)OC(c1ccc(cc1)[Br])=O)=N/c1ccc2c(c1)nc(c1cccc(c1)F)o2 |
| Stereo: | ACHIRAL |
| logP: | 6.6754 |
| logD: | 6.675 |
| logSw: | -6.3331 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.554 |
| InChI Key: | PNMXJBRXKJZEDD-UHFFFAOYSA-N |