2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4011-0170 |
| Compound Name: | 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C25 H20 F N5 O S |
| Smiles: | Cc1ccc(cc1)c1nnc(NC(C(=C/c2cc(C)n(c3ccc(cc3)F)c2C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.55 |
| logD: | 5.53 |
| logSw: | -6.29 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 135.56 |
| InChI Key: | RGJNTKBISVRBML-UHFFFAOYSA-N |