1-(4-{3-[bis(4-chlorophenyl)methoxy]propyl}piperazine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
Chemical Structure Depiction of
1-(4-{3-[bis(4-chlorophenyl)methoxy]propyl}piperazine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
1-(4-{3-[bis(4-chlorophenyl)methoxy]propyl}piperazine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
Compound characteristics
| Compound ID: | V001-4632 |
| Compound Name: | 1-(4-{3-[bis(4-chlorophenyl)methoxy]propyl}piperazine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one |
| Molecular Weight: | 559.53 |
| Molecular Formula: | C30 H36 Cl2 N2 O4 |
| Salt: | not_available |
| Smiles: | CC12CCC(C(N3CCN(CCCOC(c4ccc(cc4)[Cl])c4ccc(cc4)[Cl])CC3)=O)(C2(C)C)OC1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4966 |
| logD: | 5.2777 |
| logSw: | -6.1047 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.71 |
| InChI Key: | BGLXAMNFGIGERP-UHFFFAOYSA-N |