N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide
Compound characteristics
| Compound ID: | C528-0335 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfonyl}acetamide |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C22 H22 N2 O6 S |
| Smiles: | Cc1ccc(cc1)c1nc(CS(CC(NCc2ccc3c(c2)OCO3)=O)(=O)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.7336 |
| logD: | 2.7336 |
| logSw: | -3.2923 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.976 |
| InChI Key: | KSSHPEBXDKCVCE-UHFFFAOYSA-N |