2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | C356-0093 |
| Compound Name: | 2-cyano-N~1~-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C16 H16 N4 O6 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(s2)S(C)(=O)=O)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 1.72 |
| logD: | -0.63 |
| logSw: | -3.17 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 243.18 |
| InChI Key: | GLARXGWVETYWRV-UHFFFAOYSA-N |