N~1~-[3-(benzylsulfonyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-[5-(1-naphthylsulfanyl)-2-furyl]acrylamide
Chemical Structure Depiction of
N~1~-[3-(benzylsulfonyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-[5-(1-naphthylsulfanyl)-2-furyl]acrylamide
N~1~-[3-(benzylsulfonyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-[5-(1-naphthylsulfanyl)-2-furyl]acrylamide
Compound characteristics
Compound ID: | C508-0623 |
Compound Name: | N~1~-[3-(benzylsulfonyl)-1,2,4-thiadiazol-5-yl]-2-cyano-3-[5-(1-naphthylsulfanyl)-2-furyl]acrylamide |
Molecular Weight: | 558.66 |
Molecular Formula: | C27 H18 N4 O4 S3 |
Smiles: | C(c1ccccc1)S(c1nc(NC(C(=C/c2ccc(o2)Sc2cccc3ccccc23)\C#N)=O)sn1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 6.17 |
logD: | 3.82 |
logSw: | -7.25 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 229.41 |
InChI Key: | UYULXVKOEAZTLQ-UHFFFAOYSA-N |