3-{[4-methyl-N-(propan-2-yl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[4-methyl-N-(propan-2-yl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[4-methyl-N-(propan-2-yl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-0174 |
| Compound Name: | 3-{[4-methyl-N-(propan-2-yl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 491.53 |
| Molecular Formula: | C25 H24 F3 N O4 S |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.715 |
| logD: | 5.715 |
| logSw: | -5.5755 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.955 |
| InChI Key: | BIFAJSIKQRVCGQ-UHFFFAOYSA-N |