3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
Compound ID: | C146-0109 |
Compound Name: | 3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
Molecular Weight: | 434.94 |
Molecular Formula: | C17 H11 Cl N4 O2 S3 |
Smiles: | CSc1nc(NC(C(=C/c2ccc(o2)Sc2ccc(cc2)[Cl])\C#N)=O)sn1 |
Stereo: | ACHIRAL |
logP: | 5.89 |
logD: | 5.2 |
logSw: | -6.66 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 213.61 |
InChI Key: | ZDGFGKRAJMTGCB-UHFFFAOYSA-N |