5-{[2-ethyl-N-(propan-2-yl)hexanamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[2-ethyl-N-(propan-2-yl)hexanamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[2-ethyl-N-(propan-2-yl)hexanamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-4068 |
| Compound Name: | 5-{[2-ethyl-N-(propan-2-yl)hexanamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 529.62 |
| Molecular Formula: | C26 H34 F3 N O5 S |
| Smiles: | CCCCC(CC)C(N(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3078 |
| logD: | 6.3078 |
| logSw: | -5.5741 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.943 |
| InChI Key: | VMBYJVZNSBPLJP-FQEVSTJZSA-N |