3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0630 |
| Compound Name: | 3-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 533.02 |
| Molecular Formula: | C23 H21 Cl N4 O5 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(cc2)OCCOc2ccc(c(C)c2)[Cl])\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.37 |
| logD: | 3.01 |
| logSw: | -6.31 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 227.23 |
| InChI Key: | XBJVGBAJSMTWQC-UHFFFAOYSA-N |