5-(diethylamino)-2-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl ethanesulfonate
5-(diethylamino)-2-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V027-0479 |
| Compound Name: | 5-(diethylamino)-2-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 464.6 |
| Molecular Formula: | C24 H33 F N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(c2cccc(c2)F)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6724 |
| logD: | 4.6628 |
| logSw: | -4.5279 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.381 |
| InChI Key: | DICGHAZDCGCTPX-UHFFFAOYSA-N |