3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-9212 |
| Compound Name: | 3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H24 F3 N O4 S |
| Smiles: | CC(C)C(N(Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7574 |
| logD: | 4.7574 |
| logSw: | -4.626 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.226 |
| InChI Key: | KNWWULIKJAGIOU-UHFFFAOYSA-N |