5-{[acetyl(2-methylpropyl)amino]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-{[acetyl(2-methylpropyl)amino]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
5-{[acetyl(2-methylpropyl)amino]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-5751 |
| Compound Name: | 5-{[acetyl(2-methylpropyl)amino]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C21 H27 N O6 S |
| Smiles: | CC(C)CN(Cc1ccc(c(c1)OS(c1ccc(cc1)OC)(=O)=O)OC)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2925 |
| logD: | 3.2925 |
| logSw: | -3.686 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.211 |
| InChI Key: | LSQAGCJBTDZIIA-UHFFFAOYSA-N |