2-methoxy-5-{[(2-methylpropyl)(2,4,6-trimethylbenzene-1-sulfonyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-{[(2-methylpropyl)(2,4,6-trimethylbenzene-1-sulfonyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-methoxy-5-{[(2-methylpropyl)(2,4,6-trimethylbenzene-1-sulfonyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V012-1087 |
| Compound Name: | 2-methoxy-5-{[(2-methylpropyl)(2,4,6-trimethylbenzene-1-sulfonyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 599.69 |
| Molecular Formula: | C28 H32 F3 N O6 S2 |
| Smiles: | CC(C)CN(Cc1ccc(c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)OC)S(c1c(C)cc(C)cc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9456 |
| logD: | 6.9456 |
| logSw: | -5.9448 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.092 |
| InChI Key: | GWKNQFVOYQAMKS-UHFFFAOYSA-N |