2-cyano-3-{3-ethoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{3-ethoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{3-ethoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C679-0691 |
| Compound Name: | 2-cyano-3-{3-ethoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 495.54 |
| Molecular Formula: | C21 H17 N7 O4 S2 |
| Smiles: | CCOc1cc(/C=C(/C#N)C(Nc2nncs2)=O)ccc1OCC1=CC(N2C(=N1)SC(C)=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1 |
| logD: | 1.18 |
| logSw: | -3.63 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 261.25 |
| InChI Key: | BHMDFTNZAFHDNR-UHFFFAOYSA-N |