5-{[(2-ethoxyphenyl)-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[(2-ethoxyphenyl)-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[(2-ethoxyphenyl)-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-2019 |
| Compound Name: | 5-{[(2-ethoxyphenyl)-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 582.6 |
| Molecular Formula: | C27 H29 F3 N2 O7 S |
| Smiles: | CCOc1ccccc1NC(N(CCOC)Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9109 |
| logD: | 4.9109 |
| logSw: | -4.5552 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.582 |
| InChI Key: | TYTWTTMTQCTPLN-UHFFFAOYSA-N |