2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3-thiazol-2-yl)acrylamide
2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-4591 |
| Compound Name: | 2-cyano-3-[1-(3-nitrophenyl)-1H-pyrrol-2-yl]-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 365.37 |
| Molecular Formula: | C17 H11 N5 O3 S |
| Smiles: | C(=C(/C#N)C(Nc1nccs1)=O)\c1cccn1c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.47 |
| logD: | 3.24 |
| logSw: | -4.34 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 193.45 |
| InChI Key: | BWTULIBSEDDSJR-UHFFFAOYSA-N |