4-{[(3,5-dimethoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-{[(3,5-dimethoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-{[(3,5-dimethoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V011-9134 |
| Compound Name: | 4-{[(3,5-dimethoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 552.57 |
| Molecular Formula: | C26 H27 F3 N2 O6 S |
| Smiles: | CC(C)N(Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(Nc1cc(cc(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5918 |
| logD: | 5.5918 |
| logSw: | -5.5446 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.863 |
| InChI Key: | XESFXALWBWPJNN-UHFFFAOYSA-N |