2-methoxy-5-{[3,5,5-trimethyl-N-(propan-2-yl)hexanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-{[3,5,5-trimethyl-N-(propan-2-yl)hexanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-methoxy-5-{[3,5,5-trimethyl-N-(propan-2-yl)hexanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-2643 |
| Compound Name: | 2-methoxy-5-{[3,5,5-trimethyl-N-(propan-2-yl)hexanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 543.65 |
| Molecular Formula: | C27 H36 F3 N O5 S |
| Smiles: | CC(CC(N(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(C)C)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2873 |
| logD: | 6.2873 |
| logSw: | -5.7058 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.416 |
| InChI Key: | ZEEMHCCPCBFPCB-LJQANCHMSA-N |