2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0500 |
| Compound Name: | 2-cyano-3-{4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C24 H24 N4 O5 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(cc2)OCCOc2ccc(C)c(C)c2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.12 |
| logD: | 2.77 |
| logSw: | -5.95 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 225.15 |
| InChI Key: | GXENDHXAKKBTJK-UHFFFAOYSA-N |