4-({3-chloro-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-methyl-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-({3-chloro-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-methyl-1,3-oxazol-5(4H)-one
4-({3-chloro-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-methyl-1,3-oxazol-5(4H)-one
Compound characteristics
| Compound ID: | 8014-7161 |
| Compound Name: | 4-({3-chloro-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-2-methyl-1,3-oxazol-5(4H)-one |
| Molecular Weight: | 416.82 |
| Molecular Formula: | C20 H17 Cl N2 O6 |
| Smiles: | CCOc1cc(\C=C2/C(=O)OC(C)=N2)cc(c1OCc1ccc(cc1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4082 |
| logD: | 4.4082 |
| logSw: | -4.769 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.861 |
| InChI Key: | LYHBCRHMGUFBMC-UHFFFAOYSA-N |