5-(diethylamino)-2-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl ethanesulfonate
5-(diethylamino)-2-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V031-1964 |
| Compound Name: | 5-(diethylamino)-2-({3-fluoro-N-[(4-fluorophenyl)methyl]benzamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 516.61 |
| Molecular Formula: | C27 H30 F2 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(Cc2ccc(cc2)F)C(c2cccc(c2)F)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8401 |
| logD: | 4.8305 |
| logSw: | -4.8031 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.109 |
| InChI Key: | PRBZLKNSABDIEU-UHFFFAOYSA-N |