2-cyano-3-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5084 |
| Compound Name: | 2-cyano-3-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C17 H12 F N5 O S2 |
| Smiles: | CSc1nc(NC(C(=C/c2cccn2c2ccc(cc2)F)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.35 |
| logD: | 3.75 |
| logSw: | -5.2 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 171.32 |
| InChI Key: | MTMIRRSHYMWYKP-UHFFFAOYSA-N |