3-{[N-(2-methylpropyl)-4-(trifluoromethyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(2-methylpropyl)-4-(trifluoromethyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[N-(2-methylpropyl)-4-(trifluoromethyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V002-2566 |
| Compound Name: | 3-{[N-(2-methylpropyl)-4-(trifluoromethyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 559.53 |
| Molecular Formula: | C26 H23 F6 N O4 S |
| Smiles: | CC(C)CN(Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4564 |
| logD: | 6.4564 |
| logSw: | -5.8317 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.211 |
| InChI Key: | QRMYWXYEPQZLJZ-UHFFFAOYSA-N |