4-{[N-(butan-2-yl)-3,5-dichlorobenzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)-3,5-dichlorobenzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
4-{[N-(butan-2-yl)-3,5-dichlorobenzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-3603 |
| Compound Name: | 4-{[N-(butan-2-yl)-3,5-dichlorobenzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 560.42 |
| Molecular Formula: | C25 H22 Cl2 F3 N O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(c1cc(cc(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1715 |
| logD: | 7.1715 |
| logSw: | -6.4722 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.539 |
| InChI Key: | WDOJJPBQLWGIHQ-INIZCTEOSA-N |