3-(5-bromo-2-furyl)-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-(5-bromo-2-furyl)-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-(5-bromo-2-furyl)-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0987 |
| Compound Name: | 3-(5-bromo-2-furyl)-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 445.31 |
| Molecular Formula: | C14 H13 Br N4 O4 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc(o2)[Br])\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.52 |
| logD: | 1.14 |
| logSw: | -4.47 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 211.24 |
| InChI Key: | MZARDJAYNAUFPT-UHFFFAOYSA-N |