N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxy-3-nitrobenzamide
Chemical Structure Depiction of
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxy-3-nitrobenzamide
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxy-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y205-4246 |
| Compound Name: | N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methoxy-3-nitrobenzamide |
| Molecular Weight: | 331.35 |
| Molecular Formula: | C15 H13 N3 O4 S |
| Smiles: | Cc1c(C#N)c(NC(c2ccc(c(c2)[N+]([O-])=O)OC)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 2.7182 |
| logD: | -0.762 |
| logSw: | -3.4297 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.891 |
| InChI Key: | PVJZCPQWPLYEDD-UHFFFAOYSA-N |