N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0262 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]acrylamide |
| Molecular Weight: | 416.56 |
| Molecular Formula: | C20 H24 N4 O2 S2 |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(o2)SC2CCCCC2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.4 |
| logD: | 4.45 |
| logSw: | -6.92 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 195.83 |
| InChI Key: | IKMQLOYFCNNWLS-UHFFFAOYSA-N |