3-{4-[2-(2-allylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{4-[2-(2-allylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{4-[2-(2-allylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0509 |
| Compound Name: | 3-{4-[2-(2-allylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 524.62 |
| Molecular Formula: | C25 H24 N4 O5 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(cc2)OCCOc2ccccc2CC=C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.91 |
| logD: | 2.56 |
| logSw: | -5.61 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 202.16 |
| InChI Key: | RBUBXCOHKLZUGS-UHFFFAOYSA-N |