3-{3-chloro-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{3-chloro-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0018 |
| Compound Name: | 3-{3-chloro-5-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 549.02 |
| Molecular Formula: | C23 H21 Cl N4 O6 S2 |
| Smiles: | Cc1cccc(c1)OCCOc1c(cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc1[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.49 |
| logD: | 2.14 |
| logSw: | -5.12 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 233.53 |
| InChI Key: | DBUWEXYODYPHJV-UHFFFAOYSA-N |