methyl 4-({1-(4-chlorophenyl)-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]ethoxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({1-(4-chlorophenyl)-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]ethoxy}methyl)benzoate
methyl 4-({1-(4-chlorophenyl)-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]ethoxy}methyl)benzoate
Compound characteristics
Compound ID: | V005-9586 |
Compound Name: | methyl 4-({1-(4-chlorophenyl)-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]ethoxy}methyl)benzoate |
Molecular Weight: | 528.98 |
Molecular Formula: | C28 H27 Cl F2 N2 O4 |
Salt: | not_available |
Smiles: | COC(c1ccc(COC(CN2CCN(CC2)C(c2cc(cc(c2)F)F)=O)c2ccc(cc2)[Cl])cc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.999 |
logD: | 4.9962 |
logSw: | -5.3682 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 48.481 |
InChI Key: | COTHATMITQQUDS-SANMLTNESA-N |