3-[4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}ethyl)piperazin-1-yl]-1-[4-(hexyloxy)phenyl]pyrrolidine-2,5-dione
Chemical Structure Depiction of
3-[4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}ethyl)piperazin-1-yl]-1-[4-(hexyloxy)phenyl]pyrrolidine-2,5-dione
3-[4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}ethyl)piperazin-1-yl]-1-[4-(hexyloxy)phenyl]pyrrolidine-2,5-dione
Compound characteristics
| Compound ID: | 4514-1028 |
| Compound Name: | 3-[4-(2-{[(4,4-dimethyl-2,6-dioxocyclohexyl)methylidene]amino}ethyl)piperazin-1-yl]-1-[4-(hexyloxy)phenyl]pyrrolidine-2,5-dione |
| Molecular Weight: | 552.72 |
| Molecular Formula: | C31 H44 N4 O5 |
| Smiles: | CCCCCCOc1ccc(cc1)N1C(CC(C1=O)N1CCN(CC/N=C/C2C(CC(C)(C)CC2=O)=O)CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4441 |
| logD: | 1.4867 |
| logSw: | -2.5385 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 78.387 |
| InChI Key: | TWNDIIYUCPBMMI-SANMLTNESA-N |