3-{[2-phenyl-N-(propan-2-yl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[2-phenyl-N-(propan-2-yl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[2-phenyl-N-(propan-2-yl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V012-5050 |
| Compound Name: | 3-{[2-phenyl-N-(propan-2-yl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C27 H28 F3 N O4 S |
| Smiles: | CCC(C(N(Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(C)C)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2841 |
| logD: | 6.2841 |
| logSw: | -5.618 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.955 |
| InChI Key: | MHKFXVLCHQLNRG-RUZDIDTESA-N |