N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-ethoxy-3-methylbenzene-1-sulfonyl)alaninamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-ethoxy-3-methylbenzene-1-sulfonyl)alaninamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-ethoxy-3-methylbenzene-1-sulfonyl)alaninamide
Compound characteristics
| Compound ID: | Y050-2047 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-ethoxy-3-methylbenzene-1-sulfonyl)alaninamide |
| Molecular Weight: | 420.48 |
| Molecular Formula: | C20 H24 N2 O6 S |
| Smiles: | CCOc1ccc(cc1C)S(NC(C)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7763 |
| logD: | 2.7761 |
| logSw: | -3.2305 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.384 |
| InChI Key: | PCLNUVJZTSDGSU-AWEZNQCLSA-N |