2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)-3-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)-3-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)-3-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C679-0951 |
| Compound Name: | 2-cyano-N~1~-(4-methyl-1,3-thiazol-2-yl)-3-{4-[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide |
| Molecular Weight: | 492.58 |
| Molecular Formula: | C23 H20 N6 O3 S2 |
| Smiles: | CCCC1=NN2C(=NC(COc3ccc(/C=C(/C#N)C(Nc4nc(C)cs4)=O)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.19 |
| logD: | 3.14 |
| logSw: | -5.4 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 218.56 |
| InChI Key: | LCNGGZIETXCXNN-UHFFFAOYSA-N |