N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
Compound characteristics
| Compound ID: | 4272-0040 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C24 H18 N4 O2 S2 |
| Smiles: | Cc1ccc(cc1)Sc1ccc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 6.47 |
| logD: | 5.14 |
| logSw: | -7.23 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 179.2 |
| InChI Key: | JIWXRFUICUPRCQ-UHFFFAOYSA-N |