methyl 4-{[2-(2-chloro-5-iodophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(2-chloro-5-iodophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
methyl 4-{[2-(2-chloro-5-iodophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 8006-9422 |
| Compound Name: | methyl 4-{[2-(2-chloro-5-iodophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate |
| Molecular Weight: | 467.65 |
| Molecular Formula: | C18 H11 Cl I N O4 |
| Smiles: | COC(c1ccc(\C=C2/C(=O)OC(c3cc(ccc3[Cl])I)=N2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4328 |
| logD: | 5.4328 |
| logSw: | -6.0104 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.549 |
| InChI Key: | CGNWFIWNVKFYJJ-UHFFFAOYSA-N |