5-({[(furan-2-yl)methyl](quinoline-8-sulfonyl)amino}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-({[(furan-2-yl)methyl](quinoline-8-sulfonyl)amino}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-({[(furan-2-yl)methyl](quinoline-8-sulfonyl)amino}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V012-1026 |
| Compound Name: | 5-({[(furan-2-yl)methyl](quinoline-8-sulfonyl)amino}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 632.63 |
| Molecular Formula: | C29 H23 F3 N2 O7 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(CN(Cc2ccco2)S(c2cccc3cccnc23)(=O)=O)cc1OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0588 |
| logD: | 5.0588 |
| logSw: | -5.0688 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 92.103 |
| InChI Key: | KERGJLMZTIQNAJ-UHFFFAOYSA-N |