2-cyano-3-[1-(3-fluorophenyl)-1H-pyrrol-2-yl]-N~1~-(5-pentyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3-fluorophenyl)-1H-pyrrol-2-yl]-N~1~-(5-pentyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(3-fluorophenyl)-1H-pyrrol-2-yl]-N~1~-(5-pentyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-3814 |
| Compound Name: | 2-cyano-3-[1-(3-fluorophenyl)-1H-pyrrol-2-yl]-N~1~-(5-pentyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C21 H20 F N5 O S |
| Smiles: | CCCCCc1nnc(NC(C(=C/c2cccn2c2cccc(c2)F)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.63 |
| logD: | 3.79 |
| logSw: | -6.13 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 139.14 |
| InChI Key: | HMNAFIPAUGEHCG-UHFFFAOYSA-N |