4-{[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2-phenylene diacetate
Chemical Structure Depiction of
4-{[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2-phenylene diacetate
4-{[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2-phenylene diacetate
Compound characteristics
| Compound ID: | K088-0979 |
| Compound Name: | 4-{[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-1,2-phenylene diacetate |
| Molecular Weight: | 399.79 |
| Molecular Formula: | C20 H14 Cl N O6 |
| Smiles: | CC(=O)Oc1ccc(/C=C2/C(=O)OC(c3ccc(cc3)[Cl])=N2)cc1OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.469 |
| logD: | 3.469 |
| logSw: | -4.2899 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.051 |
| InChI Key: | PHSGDHBMAKNCND-UHFFFAOYSA-N |