2-cyano-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 3948-0909 |
| Compound Name: | 2-cyano-3-{3-methoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}-N~1~-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 520.49 |
| Molecular Formula: | C23 H19 F3 N4 O5 S |
| Smiles: | COc1cccc(c1)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(C(F)(F)F)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.74 |
| logD: | 0.2 |
| logSw: | -5.7 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 189.7 |
| InChI Key: | JLIWGKKXMBKRMT-UHFFFAOYSA-N |