2-methoxy-5-{[N-(2-methoxyethyl)(4-methylphenyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-{[N-(2-methoxyethyl)(4-methylphenyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-methoxy-5-{[N-(2-methoxyethyl)(4-methylphenyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-3533 |
| Compound Name: | 2-methoxy-5-{[N-(2-methoxyethyl)(4-methylphenyl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 552.57 |
| Molecular Formula: | C26 H27 F3 N2 O6 S |
| Smiles: | Cc1ccc(cc1)NC(N(CCOC)Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7636 |
| logD: | 4.7636 |
| logSw: | -4.5587 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.07 |
| InChI Key: | QQUPCZKFVSRUKV-UHFFFAOYSA-N |