N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Compound characteristics
| Compound ID: | 4272-0038 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C25 H20 F N5 O S |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)c(C)n1c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.04 |
| logD: | 4.35 |
| logSw: | -5.72 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 133.84 |
| InChI Key: | VAIFUZFQGRCWFS-UHFFFAOYSA-N |