4-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-1257 |
| Compound Name: | 4-{[(methoxyacetyl)(2-methylpropyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C22 H28 N2 O6 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2582 |
| logD: | 2.2581 |
| logSw: | -2.8734 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.641 |
| InChI Key: | NKXLPZRYYJSNKL-UHFFFAOYSA-N |