2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C679-1022 |
| Compound Name: | 2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 525.63 |
| Molecular Formula: | C22 H19 N7 O3 S3 |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(/C=C(/C#N)C(Nc4nc(ns4)SCC)=O)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.36 |
| logD: | 4.36 |
| logSw: | -5.25 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 277.08 |
| InChI Key: | BVYMQIYUTDCZEW-UHFFFAOYSA-N |