5-{[(butan-2-yl)(quinoline-8-sulfonyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[(butan-2-yl)(quinoline-8-sulfonyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[(butan-2-yl)(quinoline-8-sulfonyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V012-1107 |
| Compound Name: | 5-{[(butan-2-yl)(quinoline-8-sulfonyl)amino]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 608.66 |
| Molecular Formula: | C28 H27 F3 N2 O6 S2 |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)S(c1cccc2cccnc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4119 |
| logD: | 5.4119 |
| logSw: | -5.8844 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.992 |
| InChI Key: | JNJKRNWIZJPLMF-IBGZPJMESA-N |