2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C508-0445 |
| Compound Name: | 2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C16 H12 N4 O3 S3 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc(o2)SCc2ccco2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.61 |
| logD: | 3.92 |
| logSw: | -5.14 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 229.23 |
| InChI Key: | MLGCADKVYZHXQQ-UHFFFAOYSA-N |