4-{[(methoxyacetyl)(2-methoxyethyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[(methoxyacetyl)(2-methoxyethyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-{[(methoxyacetyl)(2-methoxyethyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5548 |
| Compound Name: | 4-{[(methoxyacetyl)(2-methoxyethyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C21 H26 N2 O7 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(CN(CCOC)C(COC)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.995 |
| logD: | 0.9948 |
| logSw: | -2.3414 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.962 |
| InChI Key: | MCWGWAMPASXODN-UHFFFAOYSA-N |