5-(diethylamino)-2-({[(4-fluorophenyl)methyl](thiophene-2-carbonyl)amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({[(4-fluorophenyl)methyl](thiophene-2-carbonyl)amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-({[(4-fluorophenyl)methyl](thiophene-2-carbonyl)amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-8669 |
| Compound Name: | 5-(diethylamino)-2-({[(4-fluorophenyl)methyl](thiophene-2-carbonyl)amino}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 620.69 |
| Molecular Formula: | C30 H28 F4 N2 O4 S2 |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(Cc2ccc(cc2)F)C(c2cccs2)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8762 |
| logD: | 6.8655 |
| logSw: | -5.7911 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.781 |
| InChI Key: | URLYHYSZTGYOCJ-UHFFFAOYSA-N |