2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-{5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3,4-thiadiazol-2-yl}acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-{5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3,4-thiadiazol-2-yl}acrylamide
2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-{5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3,4-thiadiazol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C679-2022 |
| Compound Name: | 2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-{5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,3,4-thiadiazol-2-yl}acrylamide |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | C1CCN(C1)C(Cc1nnc(NC(C(=C/C2=COc3ccccc3C2=O)\C#N)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.27 |
| logD: | -0.65 |
| logSw: | -3.68 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 204.36 |
| InChI Key: | UXXANMKGUADWHG-UHFFFAOYSA-N |