4-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-9261 |
| Compound Name: | 4-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 488.53 |
| Molecular Formula: | C22 H27 F3 N2 O5 S |
| Smiles: | CC(C)(C)NC(N(CCOC)Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2696 |
| logD: | 4.2695 |
| logSw: | -4.2817 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.77 |
| InChI Key: | JLRNXAZCCYDKGG-UHFFFAOYSA-N |