3-[1-(3-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[1-(3-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[1-(3-chlorophenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
Compound ID: | C370-5086 |
Compound Name: | 3-[1-(3-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/c2cccn2c2cccc(c2)[Cl])\C#N)=O)sn1 |
Stereo: | ACHIRAL |
logP: | 4.93 |
logD: | 4.33 |
logSw: | -5.83 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 167.84 |
InChI Key: | KUJXAJRIDRTZDC-UHFFFAOYSA-N |