2,2'-[(3-nitrophenyl)methylene]bis(5,5-dimethylcyclohexane-1,3-dione)
Chemical Structure Depiction of
2,2'-[(3-nitrophenyl)methylene]bis(5,5-dimethylcyclohexane-1,3-dione)
2,2'-[(3-nitrophenyl)methylene]bis(5,5-dimethylcyclohexane-1,3-dione)
Compound characteristics
| Compound ID: | 1495-0040 |
| Compound Name: | 2,2'-[(3-nitrophenyl)methylene]bis(5,5-dimethylcyclohexane-1,3-dione) |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C23 H27 N O6 |
| Smiles: | CC1(C)CC(C(C(C2C(CC(C)(C)CC2=O)=O)c2cccc(c2)[N+]([O-])=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6203 |
| logD: | -2.8263 |
| logSw: | -2.7639 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.453 |
| InChI Key: | BGPNPCHJMQYBCR-UHFFFAOYSA-N |