5-{[N-(butan-2-yl)-4-methylbenzamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)-4-methylbenzamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
5-{[N-(butan-2-yl)-4-methylbenzamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-2617 |
| Compound Name: | 5-{[N-(butan-2-yl)-4-methylbenzamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 535.58 |
| Molecular Formula: | C27 H28 F3 N O5 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)C(c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9136 |
| logD: | 5.9136 |
| logSw: | -5.6004 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.256 |
| InChI Key: | WOMJCDBLUHPGAN-IBGZPJMESA-N |