methyl 4-{[2-(4-methyl-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-methyl-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
methyl 4-{[2-(4-methyl-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 2062-1317 |
| Compound Name: | methyl 4-{[2-(4-methyl-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}benzoate |
| Molecular Weight: | 366.33 |
| Molecular Formula: | C19 H14 N2 O6 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C1=NC(=C/c2ccc(cc2)C(=O)OC)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.711 |
| logD: | 3.711 |
| logSw: | -4.1724 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.63 |
| InChI Key: | VGTCIUKLUOMSEY-UHFFFAOYSA-N |