2-methoxy-5-{[N-(2-methylpropyl)octanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-{[N-(2-methylpropyl)octanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-methoxy-5-{[N-(2-methylpropyl)octanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-4105 |
| Compound Name: | 2-methoxy-5-{[N-(2-methylpropyl)octanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 543.65 |
| Molecular Formula: | C27 H36 F3 N O5 S |
| Smiles: | CCCCCCCC(N(CC(C)C)Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8693 |
| logD: | 6.8693 |
| logSw: | -5.7239 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.672 |
| InChI Key: | ACWQLYQXGIOPER-UHFFFAOYSA-N |