3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-4805 |
| Compound Name: | 3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)acrylamide |
| Molecular Weight: | 413.29 |
| Molecular Formula: | C18 H13 Br N4 O S |
| Smiles: | Cc1csc(NC(C(=C/c2cccn2c2ccc(cc2)[Br])\C#N)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.85 |
| logD: | 3.88 |
| logSw: | -5.78 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.59 |
| InChI Key: | VAGUAISZTVPSMN-UHFFFAOYSA-N |