2-{[acetyl(2-methylpropyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-{[acetyl(2-methylpropyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-{[acetyl(2-methylpropyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8403 |
| Compound Name: | 2-{[acetyl(2-methylpropyl)amino]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C24 H31 F3 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(C)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.285 |
| logD: | 5.2743 |
| logSw: | -5.3356 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.773 |
| InChI Key: | DBNFRTCLMDAPHE-UHFFFAOYSA-N |