3-{[N-(2-methoxyethyl)-2-methylpropanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(2-methoxyethyl)-2-methylpropanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[N-(2-methoxyethyl)-2-methylpropanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-9175 |
| Compound Name: | 3-{[N-(2-methoxyethyl)-2-methylpropanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C21 H24 F3 N O5 S |
| Smiles: | CC(C)C(N(CCOC)Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9267 |
| logD: | 3.9267 |
| logSw: | -4.0525 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.803 |
| InChI Key: | AFUAYLNPYWBPQF-UHFFFAOYSA-N |