4-{[2,4-dichloro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-{[2,4-dichloro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-{[2,4-dichloro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-0163 |
| Compound Name: | 4-{[2,4-dichloro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 560.42 |
| Molecular Formula: | C25 H22 Cl2 F3 N O4 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6759 |
| logD: | 6.6759 |
| logSw: | -6.3386 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.211 |
| InChI Key: | DNFQNRAKUBNROI-UHFFFAOYSA-N |