1,4-dioxo-3-phenyl-1,4-dihydronaphthalen-2-yl 3-nitrobenzoate
Chemical Structure Depiction of
1,4-dioxo-3-phenyl-1,4-dihydronaphthalen-2-yl 3-nitrobenzoate
1,4-dioxo-3-phenyl-1,4-dihydronaphthalen-2-yl 3-nitrobenzoate
Compound characteristics
| Compound ID: | Y020-4987 |
| Compound Name: | 1,4-dioxo-3-phenyl-1,4-dihydronaphthalen-2-yl 3-nitrobenzoate |
| Molecular Weight: | 399.36 |
| Molecular Formula: | C23 H13 N O6 |
| Smiles: | c1ccc(cc1)C1=C(C(c2ccccc2C1=O)=O)OC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1777 |
| logD: | 4.1777 |
| logSw: | -4.6567 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.257 |
| InChI Key: | SRVKFRCQSKJYGS-UHFFFAOYSA-N |