5-{[(2H-1,3-benzodioxole-5-carbonyl)(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxole-5-carbonyl)(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[(2H-1,3-benzodioxole-5-carbonyl)(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V002-2487 |
| Compound Name: | 5-{[(2H-1,3-benzodioxole-5-carbonyl)(2-methoxyethyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 567.54 |
| Molecular Formula: | C26 H24 F3 N O8 S |
| Smiles: | COCCN(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7967 |
| logD: | 3.7967 |
| logSw: | -4.1153 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.364 |
| InChI Key: | GBQYYKQZDQXNAP-UHFFFAOYSA-N |