2-cyano-3-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5215 |
| Compound Name: | 2-cyano-3-(3-ethoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C25 H26 N4 O3 S2 |
| Smiles: | CCc1nnc(NC(C(=C/c2ccc(c(c2)OCC)OCCSc2ccc(C)cc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.42 |
| logD: | 3.49 |
| logSw: | -6.21 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 182.62 |
| InChI Key: | FTVCNNVNGKTGFN-UHFFFAOYSA-N |