3-(5-bromo-2-furyl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(5-bromo-2-furyl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(5-bromo-2-furyl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0225 |
| Compound Name: | 3-(5-bromo-2-furyl)-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 403.23 |
| Molecular Formula: | C11 H7 Br N4 O4 S2 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(o2)[Br])\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.01 |
| logD: | -0.37 |
| logSw: | -3.76 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 226.48 |
| InChI Key: | WAXOQUJYCPSNAJ-UHFFFAOYSA-N |