3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide
3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3773-2808 |
| Compound Name: | 3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | CCCCCCCc1nnc(NC(C(=C/c2ccc3c(c2)OCO3)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.66 |
| logD: | 3.73 |
| logSw: | -6.06 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 178.66 |
| InChI Key: | IJPHETLTNZXJRU-UHFFFAOYSA-N |