N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}acetamide
Compound characteristics
| Compound ID: | C528-0594 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}acetamide |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C22 H22 N2 O7 S |
| Smiles: | Cc1c(CS(CC(NCc2ccc3c(c2)OCO3)=O)(=O)=O)nc(c2ccc(cc2)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.2926 |
| logD: | 2.2926 |
| logSw: | -2.8919 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.52 |
| InChI Key: | PNPRIZMMFBVSAI-UHFFFAOYSA-N |