2,2'-[(4-benzoyl-1,2-phenylene)bis(azanediylmethanylylidene)]bis(5,5-dimethylcyclohexane-1,3-dione)
Chemical Structure Depiction of
2,2'-[(4-benzoyl-1,2-phenylene)bis(azanediylmethanylylidene)]bis(5,5-dimethylcyclohexane-1,3-dione)
2,2'-[(4-benzoyl-1,2-phenylene)bis(azanediylmethanylylidene)]bis(5,5-dimethylcyclohexane-1,3-dione)
Compound characteristics
| Compound ID: | 4533-0014 |
| Compound Name: | 2,2'-[(4-benzoyl-1,2-phenylene)bis(azanediylmethanylylidene)]bis(5,5-dimethylcyclohexane-1,3-dione) |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C31 H32 N2 O5 |
| Smiles: | CC1(C)CC(C(=CNc2ccc(cc2NC=C2C(CC(C)(C)CC2=O)=O)C(c2ccccc2)=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3966 |
| logD: | 1.9011 |
| logSw: | -4.4249 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.344 |
| InChI Key: | HWEXPUVHEMRQBT-UHFFFAOYSA-N |