5-{[4-hexyl-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[4-hexyl-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[4-hexyl-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V011-2157 |
| Compound Name: | 5-{[4-hexyl-N-(propan-2-yl)benzamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 591.69 |
| Molecular Formula: | C31 H36 F3 N O5 S |
| Smiles: | CCCCCCc1ccc(cc1)C(N(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 8.006 |
| logD: | 8.006 |
| logSw: | -5.7092 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.672 |
| InChI Key: | BZMLCSZKUOOLST-UHFFFAOYSA-N |