4-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
4-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
4-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | K088-3010 |
| Compound Name: | 4-{[2-(2-chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 386.75 |
| Molecular Formula: | C18 H11 Cl N2 O6 |
| Smiles: | CC(=O)Oc1ccc(\C=C2/C(=O)OC(c3cc(ccc3[Cl])[N+]([O-])=O)=N2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1784 |
| logD: | 3.1784 |
| logSw: | -3.9626 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.508 |
| InChI Key: | UJIDMJQKHPNQPR-UHFFFAOYSA-N |