5-(diethylamino)-2-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5562 |
| Compound Name: | 5-(diethylamino)-2-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 580.67 |
| Molecular Formula: | C29 H35 F3 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(Cc2ccco2)C(CC(C)(C)C)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7493 |
| logD: | 6.7385 |
| logSw: | -5.7988 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.255 |
| InChI Key: | KJMSMYLXPUMTGO-UHFFFAOYSA-N |