3-({[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)benzoic acid
Chemical Structure Depiction of
3-({[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)benzoic acid
3-({[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)benzoic acid
Compound characteristics
| Compound ID: | K091-1070 |
| Compound Name: | 3-({[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)benzoic acid |
| Molecular Weight: | 353.29 |
| Molecular Formula: | C17 H11 N3 O6 |
| Smiles: | C(=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1)/Nc1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.971 |
| logD: | 0.0852 |
| logSw: | -3.5023 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.766 |
| InChI Key: | SIWZXGBNCDEDBF-UHFFFAOYSA-N |