2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide
2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | 3773-1542 |
| Compound Name: | 2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C20 H24 N4 O3 S |
| Smiles: | CCCCCCCc1nnc(NC(C(=C/c2ccc(c(c2)OC)O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.95 |
| logD: | 3.02 |
| logSw: | -5.74 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 189.05 |
| InChI Key: | CULNKKDLIDOSDU-UHFFFAOYSA-N |