5-(diethylamino)-2-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8486 |
| Compound Name: | 5-(diethylamino)-2-{[(furan-2-carbonyl)(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 552.61 |
| Molecular Formula: | C27 H31 F3 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(c2ccco2)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.989 |
| logD: | 5.9783 |
| logSw: | -5.6303 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.612 |
| InChI Key: | ZEDIFJKXRZYKKZ-UHFFFAOYSA-N |