3,5,5-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-6-phenyloxane-2,4-dione
Chemical Structure Depiction of
3,5,5-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-6-phenyloxane-2,4-dione
3,5,5-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-6-phenyloxane-2,4-dione
Compound characteristics
| Compound ID: | 8013-5053 |
| Compound Name: | 3,5,5-trimethyl-3-[2-(4-nitrophenyl)-2-oxoethyl]-6-phenyloxane-2,4-dione |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C22 H21 N O6 |
| Smiles: | CC1(C)C(c2ccccc2)OC(C(C)(CC(c2ccc(cc2)[N+]([O-])=O)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2093 |
| logD: | 4.2093 |
| logSw: | -4.3416 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.182 |
| InChI Key: | QAPCTRAIFUQAND-UHFFFAOYSA-N |