4-({[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)phenyl 3-bromobenzoate
Chemical Structure Depiction of
4-({[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)phenyl 3-bromobenzoate
4-({[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)phenyl 3-bromobenzoate
Compound characteristics
| Compound ID: | 0850-0224 |
| Compound Name: | 4-({[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]imino}methyl)phenyl 3-bromobenzoate |
| Molecular Weight: | 623.24 |
| Molecular Formula: | C27 H16 Br I N2 O3 |
| Smiles: | C(\c1ccc(cc1)OC(c1cccc(c1)[Br])=O)=N/c1ccc2c(c1)nc(c1ccc(cc1)I)o2 |
| Stereo: | ACHIRAL |
| logP: | 7.7382 |
| logD: | 7.7379 |
| logSw: | -6.3733 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.554 |
| InChI Key: | VDMBEPCOKDCFJR-UHFFFAOYSA-N |