3-{[(3,4-dimethylphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[(3,4-dimethylphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[(3,4-dimethylphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-5690 |
| Compound Name: | 3-{[(3,4-dimethylphenyl)-N-(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 520.57 |
| Molecular Formula: | C26 H27 F3 N2 O4 S |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(Nc1ccc(C)c(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4822 |
| logD: | 6.4822 |
| logSw: | -5.7555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.776 |
| InChI Key: | WJIGVLZXJXJHLE-UHFFFAOYSA-N |