3-{[2-(3-iodo-4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzoate
Chemical Structure Depiction of
3-{[2-(3-iodo-4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzoate
3-{[2-(3-iodo-4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzoate
Compound characteristics
| Compound ID: | 8015-1809 |
| Compound Name: | 3-{[2-(3-iodo-4-methylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl benzoate |
| Molecular Weight: | 509.3 |
| Molecular Formula: | C24 H16 I N O4 |
| Smiles: | Cc1ccc(cc1I)C1=NC(=C/c2cccc(c2)OC(c2ccccc2)=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 5.4954 |
| logD: | 5.4954 |
| logSw: | -5.6412 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.753 |
| InChI Key: | QRHLLHHJKMAYAX-UHFFFAOYSA-N |