2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | C146-0193 |
| Compound Name: | 2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C16 H16 N4 O4 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.26 |
| logD: | 2.59 |
| logSw: | -3.98 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 203.04 |
| InChI Key: | QEVRCHGGRPCZRK-UHFFFAOYSA-N |