methyl 4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
methyl 4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 2062-1322 |
| Compound Name: | methyl 4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate |
| Molecular Weight: | 386.75 |
| Molecular Formula: | C18 H11 Cl N2 O6 |
| Smiles: | COC(c1ccc(/C=C2/C(=O)OC(c3ccc(c(c3)[N+]([O-])=O)[Cl])=N2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5779 |
| logD: | 3.5779 |
| logSw: | -4.3009 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.63 |
| InChI Key: | OAULGTXNAGNOJD-UHFFFAOYSA-N |