2-cyano-3-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-5316 |
| Compound Name: | 2-cyano-3-[1-(4-fluorophenyl)-1H-pyrrol-2-yl]-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C20 H18 F N5 O S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2cccn2c2ccc(cc2)F)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.93 |
| logD: | 3.09 |
| logSw: | -5.79 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 139.03 |
| InChI Key: | FNTSRTLZYQJSSY-UHFFFAOYSA-N |