3-{5-chloro-2-[2-(2-isopropyl-5-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{5-chloro-2-[2-(2-isopropyl-5-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{5-chloro-2-[2-(2-isopropyl-5-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5244 |
| Compound Name: | 3-{5-chloro-2-[2-(2-isopropyl-5-methylphenoxy)ethoxy]phenyl}-2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 511.04 |
| Molecular Formula: | C26 H27 Cl N4 O3 S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(ccc2OCCOc2cc(C)ccc2C(C)C)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 7.22 |
| logD: | 5.58 |
| logSw: | -7.73 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 138.78 |
| InChI Key: | LFMYYTREEGCNRA-UHFFFAOYSA-N |