3-{[N-(butan-2-yl)-2,4-dimethoxybenzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)-2,4-dimethoxybenzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[N-(butan-2-yl)-2,4-dimethoxybenzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-0143 |
| Compound Name: | 3-{[N-(butan-2-yl)-2,4-dimethoxybenzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 551.58 |
| Molecular Formula: | C27 H28 F3 N O6 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(c1ccc(cc1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7912 |
| logD: | 5.7912 |
| logSw: | -5.6265 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.713 |
| InChI Key: | FYWDHUXFXROQCI-SFHVURJKSA-N |