({3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}methylidene)propanedinitrile
Chemical Structure Depiction of
({3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}methylidene)propanedinitrile
({3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}methylidene)propanedinitrile
Compound characteristics
| Compound ID: | C679-1916 |
| Compound Name: | ({3-ethoxy-4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}methylidene)propanedinitrile |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C20 H17 N5 O3 S |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(C=C(C#N)C#N)cc3OCC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.581 |
| logD: | 2.5745 |
| logSw: | -2.9728 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.083 |
| InChI Key: | ILIMSDBMMNIDBC-UHFFFAOYSA-N |