3-{[(2,4-dimethylphenyl)-N-(2-methoxyethyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[(2,4-dimethylphenyl)-N-(2-methoxyethyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[(2,4-dimethylphenyl)-N-(2-methoxyethyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-0161 |
| Compound Name: | 3-{[(2,4-dimethylphenyl)-N-(2-methoxyethyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 536.57 |
| Molecular Formula: | C26 H27 F3 N2 O5 S |
| Smiles: | Cc1ccc(c(C)c1)NC(N(CCOC)Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.524 |
| logD: | 5.524 |
| logSw: | -5.4484 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.655 |
| InChI Key: | LSPFGKGFFJOLQT-UHFFFAOYSA-N |