3-[5-(4-chlorophenyl)-2-furyl]-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[5-(4-chlorophenyl)-2-furyl]-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[5-(4-chlorophenyl)-2-furyl]-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-1189 |
| Compound Name: | 3-[5-(4-chlorophenyl)-2-furyl]-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 476.96 |
| Molecular Formula: | C20 H17 Cl N4 O4 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(c3ccc(cc3)[Cl])o2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.39 |
| logD: | 3.02 |
| logSw: | -6.25 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 209.87 |
| InChI Key: | KJKLUFNPIMCHSK-UHFFFAOYSA-N |