5-(diethylamino)-2-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8475 |
| Compound Name: | 5-(diethylamino)-2-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 530.61 |
| Molecular Formula: | C25 H33 F3 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(COC)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7688 |
| logD: | 4.7581 |
| logSw: | -4.7048 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.202 |
| InChI Key: | JJQTTWAWJKPXEO-UHFFFAOYSA-N |