4-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl propane-2-sulfonate
4-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-0588 |
| Compound Name: | 4-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 357.47 |
| Molecular Formula: | C17 H27 N O5 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(C(C)C)(=O)=O)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1824 |
| logD: | 2.1824 |
| logSw: | -2.5322 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.651 |
| InChI Key: | CGAZUCICKCOOFR-UHFFFAOYSA-N |