3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-1280 |
| Compound Name: | 3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 521.41 |
| Molecular Formula: | C20 H17 Br N4 O4 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(c3ccc(cc3)[Br])o2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.63 |
| logD: | 3.26 |
| logSw: | -6.58 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 210.28 |
| InChI Key: | ULAUAWYWKYDNQR-UHFFFAOYSA-N |