3-{[(methoxyacetyl)(propan-2-yl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(methoxyacetyl)(propan-2-yl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
3-{[(methoxyacetyl)(propan-2-yl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-0401 |
| Compound Name: | 3-{[(methoxyacetyl)(propan-2-yl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C21 H26 N2 O6 S |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0309 |
| logD: | 2.0308 |
| logSw: | -2.8609 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.385 |
| InChI Key: | SFWLKUYMNCWVFT-UHFFFAOYSA-N |