5-(diethylamino)-2-{[N-(2-methylpropyl)(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[N-(2-methylpropyl)(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-{[N-(2-methylpropyl)(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-2717 |
| Compound Name: | 5-(diethylamino)-2-{[N-(2-methylpropyl)(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 543.65 |
| Molecular Formula: | C26 H36 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(NC(C)C)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1885 |
| logD: | 6.1778 |
| logSw: | -5.6104 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.423 |
| InChI Key: | YJLNLQBWTUMMBB-UHFFFAOYSA-N |