2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}-N-(3-nitrophenyl)acetamide
2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | K788-9684 |
| Compound Name: | 2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C20 H19 N3 O5 S |
| Smiles: | Cc1ccc(cc1)c1nc(CS(CC(Nc2cccc(c2)[N+]([O-])=O)=O)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.5366 |
| logD: | 3.5344 |
| logSw: | -3.8047 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.664 |
| InChI Key: | VKJQYNLWBSTKIZ-UHFFFAOYSA-N |