methyl 4-({1-(4-chlorophenyl)-2-[4-(2-methylpentanoyl)piperazin-1-yl]ethoxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({1-(4-chlorophenyl)-2-[4-(2-methylpentanoyl)piperazin-1-yl]ethoxy}methyl)benzoate
methyl 4-({1-(4-chlorophenyl)-2-[4-(2-methylpentanoyl)piperazin-1-yl]ethoxy}methyl)benzoate
Compound characteristics
| Compound ID: | V002-1616 |
| Compound Name: | methyl 4-({1-(4-chlorophenyl)-2-[4-(2-methylpentanoyl)piperazin-1-yl]ethoxy}methyl)benzoate |
| Molecular Weight: | 487.04 |
| Molecular Formula: | C27 H35 Cl N2 O4 |
| Smiles: | CCCC(C)C(N1CCN(CC1)CC(c1ccc(cc1)[Cl])OCc1ccc(cc1)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9026 |
| logD: | 4.893 |
| logSw: | -5.2123 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.753 |
| InChI Key: | ACIYCIVOKAIYFR-UHFFFAOYSA-N |