2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Compound characteristics
| Compound ID: | 4011-0152 |
| Compound Name: | 2-cyano-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C24 H24 F N5 O S |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nnc(C3CCCCC3)s2)=O)c(C)n1c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 5.39 |
| logD: | 4.16 |
| logSw: | -6.21 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 135.34 |
| InChI Key: | OIAGLWHXQBHULK-UHFFFAOYSA-N |