2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
Compound ID: | C508-0505 |
Compound Name: | 2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)acrylamide |
Molecular Weight: | 442.6 |
Molecular Formula: | C22 H26 N4 O2 S2 |
Smiles: | C1CCC(CC1)c1nnc(NC(C(=C/c2ccc(o2)SC2CCCCC2)\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 6.8 |
logD: | 4.87 |
logSw: | -7.44 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 194.92 |
InChI Key: | BRUKKOORFOWSKL-UHFFFAOYSA-N |