N-(2-methoxy-5-nitrophenyl)-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide
N-(2-methoxy-5-nitrophenyl)-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide
Compound characteristics
| Compound ID: | K788-9671 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C21 H21 N3 O6 S |
| Smiles: | Cc1ccc(cc1)c1nc(CS(CC(Nc2cc(ccc2OC)[N+]([O-])=O)=O)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.0604 |
| logD: | 3.001 |
| logSw: | -3.514 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.596 |
| InChI Key: | QPVYTVQXKFDBET-UHFFFAOYSA-N |