2-cyano-3-[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-3568 |
| Compound Name: | 2-cyano-3-[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 396.38 |
| Molecular Formula: | C17 H12 N6 O4 S |
| Smiles: | COc1cc(ccc1n1cccc1/C=C(/C#N)C(Nc1nncs1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.03 |
| logD: | 2.19 |
| logSw: | -4.14 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 234.53 |
| InChI Key: | UNFDWTMSQDOJFH-UHFFFAOYSA-N |