methyl 4-{[1-(4-chlorophenyl)-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethoxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(4-chlorophenyl)-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethoxy]methyl}benzoate
methyl 4-{[1-(4-chlorophenyl)-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethoxy]methyl}benzoate
Compound characteristics
| Compound ID: | V003-2699 |
| Compound Name: | methyl 4-{[1-(4-chlorophenyl)-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethoxy]methyl}benzoate |
| Molecular Weight: | 597.05 |
| Molecular Formula: | C28 H28 Cl F3 N2 O5 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(COC(CN2CCN(CC2)S(c2ccc(cc2)C(F)(F)F)(=O)=O)c2ccc(cc2)[Cl])cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6729 |
| logD: | 5.6717 |
| logSw: | -6.209 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 63.544 |
| InChI Key: | NIAGIZGMELOCES-SANMLTNESA-N |