3-{[(2,4-dimethoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[(2,4-dimethoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[(2,4-dimethoxyphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V011-9133 |
| Compound Name: | 3-{[(2,4-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(Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.636 |
| logD: | 5.636 |
| logSw: | -5.5582 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.252 |
| InChI Key: | GPNYZBMHZCIWLL-UHFFFAOYSA-N |