3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 4-nitrobenzoate
Chemical Structure Depiction of
3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 4-nitrobenzoate
3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | Y041-2760 |
| Compound Name: | 3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 4-nitrobenzoate |
| Molecular Weight: | 417.37 |
| Molecular Formula: | C23 H15 N O7 |
| Smiles: | COc1ccc(cc1)C1=COc2cc(ccc2C1=O)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0264 |
| logD: | 4.0264 |
| logSw: | -4.4136 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.163 |
| InChI Key: | MATZCGJIEXFIFQ-UHFFFAOYSA-N |