2-cyano-3-(2,5-dimethoxyphenyl)-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-(2,5-dimethoxyphenyl)-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-(2,5-dimethoxyphenyl)-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3773-0485 |
| Compound Name: | 2-cyano-3-(2,5-dimethoxyphenyl)-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CCCCCCCc1nnc(NC(C(=C/c2cc(ccc2OC)OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.82 |
| logD: | 4.19 |
| logSw: | -6.23 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 152.02 |
| InChI Key: | QGNNZAZOFSMPCO-UHFFFAOYSA-N |