N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide
Chemical Structure Depiction of
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide
N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide
Compound characteristics
| Compound ID: | 4272-0493 |
| Compound Name: | N~1~-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl}acrylamide |
| Molecular Weight: | 540.64 |
| Molecular Formula: | C30 H28 N4 O4 S |
| Smiles: | Cc1cc(C)cc(c1)OCCOc1ccc(/C=C(/C#N)C(Nc2nnc(Cc3ccccc3)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.27 |
| logD: | 4.97 |
| logSw: | -7.12 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 174.09 |
| InChI Key: | LWUWRRFOLDMQRK-UHFFFAOYSA-N |