N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide
Compound characteristics
| Compound ID: | C527-1513 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C22 H22 N2 O6 S |
| Smiles: | Cc1c(CS(CC(NCc2ccc3c(c2)OCO3)=O)=O)nc(c2cccc(c2)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.6218 |
| logD: | 2.6218 |
| logSw: | -3.0158 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.264 |
| InChI Key: | OBPMIECFWLHWCW-UHFFFAOYSA-N |