5-(diethylamino)-2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-2706 |
| Compound Name: | 5-(diethylamino)-2-{[N-(2-methoxyethyl)-3,3-dimethylbutanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 558.66 |
| Molecular Formula: | C27 H37 F3 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CCOC)C(CC(C)(C)C)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.817 |
| logD: | 5.8062 |
| logSw: | -5.6149 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.099 |
| InChI Key: | KXUNFXBTOKVRRA-UHFFFAOYSA-N |