N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-ethoxy-3-methylbenzene-1-sulfonyl)-N~2~-ethylglycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-ethoxy-3-methylbenzene-1-sulfonyl)-N~2~-ethylglycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-ethoxy-3-methylbenzene-1-sulfonyl)-N~2~-ethylglycinamide
Compound characteristics
| Compound ID: | Y050-1998 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(4-ethoxy-3-methylbenzene-1-sulfonyl)-N~2~-ethylglycinamide |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C21 H26 N2 O6 S |
| Smiles: | CCN(CC(NCc1ccc2c(c1)OCO2)=O)S(c1ccc(c(C)c1)OCC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3241 |
| logD: | 3.3241 |
| logSw: | -3.6164 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.136 |
| InChI Key: | KHPYQIXVVUPRMG-UHFFFAOYSA-N |