2-methoxy-5-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-methoxy-5-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-2901 |
| Compound Name: | 2-methoxy-5-({(2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 594.61 |
| Molecular Formula: | C28 H29 F3 N2 O7 S |
| Smiles: | COc1ccccc1NC(N(CC1CCCO1)Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6839 |
| logD: | 4.6839 |
| logSw: | -4.5057 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.064 |
| InChI Key: | HMTPOHOQZIBIFY-OAQYLSRUSA-N |