5-{[ethyl-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[ethyl-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[ethyl-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-6691 |
| Compound Name: | 5-{[ethyl-N-(2-methoxyethyl)carbamamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 490.5 |
| Molecular Formula: | C21 H25 F3 N2 O6 S |
| Smiles: | CCNC(N(CCOC)Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9668 |
| logD: | 2.9668 |
| logSw: | -3.5641 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.289 |
| InChI Key: | GREWZLOZJZLZDB-UHFFFAOYSA-N |