5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-8048 |
| Compound Name: | 5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 501.56 |
| Molecular Formula: | C24 H30 F3 N O5 S |
| Smiles: | CC(C)N(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.306 |
| logD: | 5.306 |
| logSw: | -5.4905 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.416 |
| InChI Key: | MFKYFASVWZFDDL-UHFFFAOYSA-N |