3-[1-(4-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[1-(4-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[1-(4-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
Compound ID: | C370-5087 |
Compound Name: | 3-[1-(4-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
Molecular Weight: | 401.89 |
Molecular Formula: | C17 H12 Cl N5 O S2 |
Smiles: | CSc1nc(NC(C(=C/c2cccn2c2ccc(cc2)[Cl])\C#N)=O)sn1 |
Stereo: | ACHIRAL |
logP: | 4.92 |
logD: | 4.32 |
logSw: | -5.88 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 169.85 |
InChI Key: | LZKDUXDLFUKYCD-UHFFFAOYSA-N |