5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8451 |
| Compound Name: | 5-(diethylamino)-2-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 542.66 |
| Molecular Formula: | C27 H37 F3 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(CC(C)C)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5646 |
| logD: | 6.5538 |
| logSw: | -5.7822 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.778 |
| InChI Key: | FFSLQKKBYSNSBM-UHFFFAOYSA-N |