5-(diethylamino)-2-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-(diethylamino)-2-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5530 |
| Compound Name: | 5-(diethylamino)-2-({ethyl-N-[(furan-2-yl)methyl]carbamamido}methyl)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 553.6 |
| Molecular Formula: | C26 H30 F3 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCNC(N(Cc1ccc(cc1OS(c1cccc(c1)C(F)(F)F)(=O)=O)N(CC)CC)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2657 |
| logD: | 5.2549 |
| logSw: | -5.2234 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.551 |
| InChI Key: | BXQSCFMYVRYIJD-UHFFFAOYSA-N |