methyl 4-[({2-[2-(3-nitrophenyl)ethenyl]-5-oxo-1,3-oxazol-4(5H)-ylidene}methyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[({2-[2-(3-nitrophenyl)ethenyl]-5-oxo-1,3-oxazol-4(5H)-ylidene}methyl)amino]benzoate
methyl 4-[({2-[2-(3-nitrophenyl)ethenyl]-5-oxo-1,3-oxazol-4(5H)-ylidene}methyl)amino]benzoate
Compound characteristics
| Compound ID: | 2113-0216 |
| Compound Name: | methyl 4-[({2-[2-(3-nitrophenyl)ethenyl]-5-oxo-1,3-oxazol-4(5H)-ylidene}methyl)amino]benzoate |
| Molecular Weight: | 393.35 |
| Molecular Formula: | C20 H15 N3 O6 |
| Smiles: | COC(c1ccc(cc1)N/C=C1/C(=O)OC(/C=C/c2cccc(c2)[N+]([O-])=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.724 |
| logD: | 3.712 |
| logSw: | -4.2196 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.678 |
| InChI Key: | YWJZNCJVJVZIFT-UHFFFAOYSA-N |