AC1Q2JWD
[4-[2-(tert-butylamino)-1-methylsulfonyloxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
Also Known As: alpha-((tert-Butylamino)methyl)-3,4-dihydroxybenzyl alcohol-3,4-di(4-toluate)methanesulfonate|alpha-((tert-Butylamino)methyl)-3,4-dihydroxybenzyl alcohol-3,4-di(p-toluate)methanesulfonate|Benzoic acid, 4-methyl-, 4-(2-((1,1-dimethylethyl)amino)-1-((methylsulfonyl)oxy)ethyl)-1,2-phenylene ester|4-{2-(tert-Butylamino)-1-[(methanesulfonyl)oxy]ethyl}-1,2-phenylene bis(4-methylbenzoate)|4-{2-(tert-butylamino)-1-[(methylsulfonyl)oxy]ethyl}benzene-1,2-diyl bis(4-methylbenzoate)|[4-[2-(tert-butylamino)-1-methylsulfonyloxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate|[5-[2-(tert-butylamino)-1-methylsulfonyloxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
| Molecular Formula | C29H33NO7S |
|---|---|
| Molecular Weight | 539.19775 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 539.19775 |
| Monoisotopic Mass | 539.19775 |
| Heavy Atoms | 38 |
| Complexity | 878.0 |
Chemical Identifiers
| CAS Number | 76741-89-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(CNC(C)(C)C)OS(=O)(=O)C)OC(=O)C3=CC=C(C=C3)C |
| InChIKey | RQLSEYZHOFCKJH-UHFFFAOYSA-N |
Product Overview
AC1Q2JWD (CAS 76741-89-4), with molecular formula C29H33NO7S and molecular weight 539.19775 g/mol. IUPAC: [4-[2-(tert-butylamino)-1-methylsulfonyloxyethyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate.