2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-methoxyphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-methoxyphenyl)acrylamide
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-methoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | C146-1213 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-methoxyphenyl)acrylamide |
| Molecular Weight: | 346.43 |
| Molecular Formula: | C15 H14 N4 O2 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2ccc(cc2)OC)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.9 |
| logD: | 3.22 |
| logSw: | -4.74 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 183.8 |
| InChI Key: | UPUABVMHLVWXOU-UHFFFAOYSA-N |