methyl 4-({1-(4-chlorophenyl)-2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]ethoxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({1-(4-chlorophenyl)-2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]ethoxy}methyl)benzoate
methyl 4-({1-(4-chlorophenyl)-2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]ethoxy}methyl)benzoate
Compound characteristics
| Compound ID: | V002-0184 |
| Compound Name: | methyl 4-({1-(4-chlorophenyl)-2-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]ethoxy}methyl)benzoate |
| Molecular Weight: | 528.43 |
| Molecular Formula: | C27 H27 Cl2 N3 O4 |
| Smiles: | COC(c1ccc(COC(CN2CCN(CC2)C(c2ccc(nc2)[Cl])=O)c2ccc(cc2)[Cl])cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0212 |
| logD: | 4.0184 |
| logSw: | -4.6951 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.486 |
| InChI Key: | MLBRUMQJGCHLPZ-DEOSSOPVSA-N |