methyl 4-({[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)benzoate
methyl 4-({[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)benzoate
Compound characteristics
| Compound ID: | K091-1067 |
| Compound Name: | methyl 4-({[2-(4-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}amino)benzoate |
| Molecular Weight: | 367.32 |
| Molecular Formula: | C18 H13 N3 O6 |
| Smiles: | COC(c1ccc(cc1)N\C=C1/C(=O)OC(c2ccc(cc2)[N+]([O-])=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0584 |
| logD: | 3.0574 |
| logSw: | -3.6493 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.532 |
| InChI Key: | IEHIOJNAAXASNV-UHFFFAOYSA-N |