3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-4827 |
| Compound Name: | 3-[1-(2-chloro-4-nitrophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 413.84 |
| Molecular Formula: | C18 H12 Cl N5 O3 S |
| Smiles: | Cc1csc(NC(C(=C/c2cccn2c2ccc(cc2[Cl])[N+]([O-])=O)\C#N)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.45 |
| logD: | 3.48 |
| logSw: | -5.18 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 188.24 |
| InChI Key: | ITTIGMAQGAIYSY-UHFFFAOYSA-N |