5-{[acetyl(propan-2-yl)amino]methyl}-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-{[acetyl(propan-2-yl)amino]methyl}-2-methoxyphenyl propane-2-sulfonate
5-{[acetyl(propan-2-yl)amino]methyl}-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
Compound ID: | V029-9690 |
Compound Name: | 5-{[acetyl(propan-2-yl)amino]methyl}-2-methoxyphenyl propane-2-sulfonate |
Molecular Weight: | 343.44 |
Molecular Formula: | C16 H25 N O5 S |
Smiles: | CC(C)N(Cc1ccc(c(c1)OS(C(C)C)(=O)=O)OC)C(C)=O |
Stereo: | ACHIRAL |
logP: | 1.9466 |
logD: | 1.9466 |
logSw: | -2.6246 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 60.683 |
InChI Key: | LLZUOFMLSDIKIY-UHFFFAOYSA-N |