3-{[(butan-2-yl)(methoxyacetyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(butan-2-yl)(methoxyacetyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
3-{[(butan-2-yl)(methoxyacetyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-7661 |
| Compound Name: | 3-{[(butan-2-yl)(methoxyacetyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C22 H28 N2 O6 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(COC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.495 |
| logD: | 2.4949 |
| logSw: | -2.9139 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.969 |
| InChI Key: | NBZXAYSZFJQVPG-INIZCTEOSA-N |