methyl 4-{[1-(3-methoxyphenyl)-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethoxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(3-methoxyphenyl)-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethoxy]methyl}benzoate
methyl 4-{[1-(3-methoxyphenyl)-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethoxy]methyl}benzoate
Compound characteristics
| Compound ID: | V002-2022 |
| Compound Name: | methyl 4-{[1-(3-methoxyphenyl)-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}ethoxy]methyl}benzoate |
| Molecular Weight: | 592.63 |
| Molecular Formula: | C29 H31 F3 N2 O6 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(COC(CN2CCN(CC2)S(c2ccc(cc2)C(F)(F)F)(=O)=O)c2cccc(c2)OC)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1804 |
| logD: | 5.1798 |
| logSw: | -5.1458 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 71.088 |
| InChI Key: | ZZIKAUGOECFDKP-MHZLTWQESA-N |