5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-3557 |
| Compound Name: | 5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 594.67 |
| Molecular Formula: | C30 H34 F4 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(Cc2ccc(cc2)F)C(CC(C)C)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7323 |
| logD: | 6.7215 |
| logSw: | -5.7647 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.506 |
| InChI Key: | DWKOXVGQILVAIX-UHFFFAOYSA-N |