2-cyano-3-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3537-5201 |
| Compound Name: | 2-cyano-3-{4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | CCc1cc(C)cc(c1)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(CC)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.24 |
| logD: | 4.3 |
| logSw: | -7.16 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 172.68 |
| InChI Key: | NXMJWKSUOYVSJP-UHFFFAOYSA-N |