3-({[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-({[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-({[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V011-9118 |
| Compound Name: | 3-({[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 592.68 |
| Molecular Formula: | C30 H35 F3 N2 O5 S |
| Smiles: | CC(C)c1cccc(C(C)C)c1NC(N(CCOC)Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6275 |
| logD: | 5.6273 |
| logSw: | -5.5343 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.957 |
| InChI Key: | JXSATOKIFXHOFJ-UHFFFAOYSA-N |