3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-4595 |
| Compound Name: | 3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 399.81 |
| Molecular Formula: | C17 H10 Cl N5 O3 S |
| Smiles: | C(=C(/C#N)C(Nc1nccs1)=O)\c1cccn1c1ccc(cc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.06 |
| logD: | 3.83 |
| logSw: | -5.08 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 190.46 |
| InChI Key: | MZHUGYFPUDEOMG-UHFFFAOYSA-N |