2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0033 |
| Compound Name: | 2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 530.64 |
| Molecular Formula: | C23 H22 N4 O5 S3 |
| Smiles: | Cc1ccc(cc1)SCCOc1ccc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.01 |
| logD: | 1.65 |
| logSw: | -5.08 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 261.48 |
| InChI Key: | SQOLOBGFIJTRQG-UHFFFAOYSA-N |