2-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-nitrobenzoate
Chemical Structure Depiction of
2-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-nitrobenzoate
2-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 8009-8024 |
| Compound Name: | 2-{[2-(4-tert-butylphenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl 4-nitrobenzoate |
| Molecular Weight: | 470.48 |
| Molecular Formula: | C27 H22 N2 O6 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=NC(=C\c2ccccc2OC(c2ccc(cc2)[N+]([O-])=O)=O)\C(=O)O1 |
| Stereo: | ACHIRAL |
| logP: | 6.1516 |
| logD: | 6.1516 |
| logSw: | -5.7513 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.222 |
| InChI Key: | HJCANLHSJXNDHQ-UHFFFAOYSA-N |