2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-6719 |
| Compound Name: | 2-{[N-(butan-2-yl)-3-methylbutanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C23 H28 F3 N O4 S |
| Smiles: | CCC(C)N(Cc1ccccc1OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(CC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8674 |
| logD: | 5.8674 |
| logSw: | -5.5849 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.37 |
| InChI Key: | KGUMAMNCINVJIL-KRWDZBQOSA-N |