({4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}methylidene)propanedinitrile
Chemical Structure Depiction of
({4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}methylidene)propanedinitrile
({4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}methylidene)propanedinitrile
Compound characteristics
| Compound ID: | C679-1913 |
| Compound Name: | ({4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}methylidene)propanedinitrile |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C19 H15 N5 O3 S |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(C=C(C#N)C#N)cc3OC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.4354 |
| logD: | 2.4289 |
| logSw: | -2.7624 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.503 |
| InChI Key: | ZRSIUMVJDOOVFS-UHFFFAOYSA-N |