2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C508-0325 |
| Compound Name: | 2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C23 H22 N4 O2 S2 |
| Smiles: | Cc1ccccc1c1nnc(NC(C(=C/c2ccc(o2)SC2CCCCC2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.78 |
| logD: | 6.76 |
| logSw: | -7.5 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 187.53 |
| InChI Key: | QNSRFLXIKDCVBL-UHFFFAOYSA-N |