N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide
Compound characteristics
| Compound ID: | C527-1117 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C22 H22 N2 O5 S |
| Smiles: | Cc1ccccc1c1nc(CS(CC(NCc2ccc3c(c2)OCO3)=O)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.8665 |
| logD: | 2.8665 |
| logSw: | -3.4692 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.72 |
| InChI Key: | KMBREZPTBBVLQJ-UHFFFAOYSA-N |