2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C508-0706 |
| Compound Name: | 2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 436.48 |
| Molecular Formula: | C16 H12 N4 O5 S3 |
| Smiles: | CS(c1nnc(NC(C(=C/c2ccc(o2)SCc2ccco2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.07 |
| logD: | 0.7 |
| logSw: | -3.95 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 269.36 |
| InChI Key: | VQIYKAYGHRGQHL-UHFFFAOYSA-N |