5-(diethylamino)-2-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8463 |
| Compound Name: | 5-(diethylamino)-2-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 580.64 |
| Molecular Formula: | C29 H32 F4 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(c2ccccc2F)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7077 |
| logD: | 6.697 |
| logSw: | -5.8022 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.034 |
| InChI Key: | NQRXXBCQLOLFQF-UHFFFAOYSA-N |