4-({[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)phenyl 4-fluorobenzoate
Chemical Structure Depiction of
4-({[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)phenyl 4-fluorobenzoate
4-({[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)phenyl 4-fluorobenzoate
Compound characteristics
| Compound ID: | 0780-1119 |
| Compound Name: | 4-({[2-(3-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)phenyl 4-fluorobenzoate |
| Molecular Weight: | 562.34 |
| Molecular Formula: | C27 H16 F I N2 O3 |
| Smiles: | C(\c1ccc(cc1)OC(c1ccc(cc1)F)=O)=N/c1ccc2c(c1)nc(c1cccc(c1)I)o2 |
| Stereo: | ACHIRAL |
| logP: | 6.8592 |
| logD: | 6.8589 |
| logSw: | -6.3605 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.554 |
| InChI Key: | JIRDRZWCEKSBBM-UHFFFAOYSA-N |