2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-4H-chromen-3-yl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-4H-chromen-3-yl)acrylamide
2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-4H-chromen-3-yl)acrylamide
Compound characteristics
| Compound ID: | C679-1985 |
| Compound Name: | 2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-4H-chromen-3-yl)acrylamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CCCCCCCc1nnc(NC(C(=C/C2=COc3ccccc3C2=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.35 |
| logD: | 1.93 |
| logSw: | -6.42 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 173.26 |
| InChI Key: | IIULEZGSVROULI-UHFFFAOYSA-N |