5-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V002-1308 |
| Compound Name: | 5-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 581.65 |
| Molecular Formula: | C29 H34 F3 N O6 S |
| Smiles: | CC(CC(N(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)Cc1ccco1)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3735 |
| logD: | 6.3735 |
| logSw: | -5.7624 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.149 |
| InChI Key: | RMUUAYMIXDVBJW-HXUWFJFHSA-N |