3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-5262 |
| Compound Name: | 3-[1-(4-bromophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 442.34 |
| Molecular Formula: | C19 H16 Br N5 O S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2cccn2c2ccc(cc2)[Br])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.27 |
| logD: | 3.45 |
| logSw: | -6.41 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.97 |
| InChI Key: | VBQQBECRTMAQHL-UHFFFAOYSA-N |