3-[5-(3-chloro-4-fluorophenyl)-2-furyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[5-(3-chloro-4-fluorophenyl)-2-furyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[5-(3-chloro-4-fluorophenyl)-2-furyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0149 |
| Compound Name: | 3-[5-(3-chloro-4-fluorophenyl)-2-furyl]-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 430.89 |
| Molecular Formula: | C20 H16 Cl F N4 O2 S |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(c3ccc(c(c3)[Cl])F)o2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.72 |
| logD: | 3.77 |
| logSw: | -6.58 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 145.76 |
| InChI Key: | URIWKGQOYOPJIR-UHFFFAOYSA-N |