3-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-9260 |
| Compound Name: | 3-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C23 H28 F3 N O4 S |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6111 |
| logD: | 5.6111 |
| logSw: | -5.5739 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.699 |
| InChI Key: | DUQFJYNUOBDNLR-UHFFFAOYSA-N |