N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-methyl-2-nitrophenoxy)acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-methyl-2-nitrophenoxy)acetamide
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-methyl-2-nitrophenoxy)acetamide
Compound characteristics
| Compound ID: | Y205-8530 |
| Compound Name: | N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-methyl-2-nitrophenoxy)acetamide |
| Molecular Weight: | 345.37 |
| Molecular Formula: | C16 H15 N3 O4 S |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCC(Nc1c(C#N)c(C)c(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3336 |
| logD: | 2.1162 |
| logSw: | -3.7925 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.633 |
| InChI Key: | BSESZPHSNMUJLI-UHFFFAOYSA-N |