2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-[3-(trifluoromethyl)phenyl]-5-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}benzene-1-sulfonamide
Chemical Structure Depiction of
2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-[3-(trifluoromethyl)phenyl]-5-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}benzene-1-sulfonamide
2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-[3-(trifluoromethyl)phenyl]-5-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | K659-0385 |
| Compound Name: | 2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-N-[3-(trifluoromethyl)phenyl]-5-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl}benzene-1-sulfonamide |
| Molecular Weight: | 772.84 |
| Molecular Formula: | C38 H43 F3 N4 O8 S |
| Smiles: | COc1ccc(CCNc2ccc(cc2S(Nc2cccc(c2)C(F)(F)F)(=O)=O)C(N2CCN(CC2)Cc2ccc(c(c2OC)OC)OC)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.8943 |
| logD: | 3.1457 |
| logSw: | -4.6975 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.78 |
| InChI Key: | AIXQDNWTOIFIRG-UHFFFAOYSA-N |