2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}-N~1~-[3-(methylsulfanyl)-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]-3-methoxyphenyl}-N~1~-[3-(methylsulfanyl)-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]-3-methoxyphenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C679-1013 |
| Compound Name: | 2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 541.63 |
| Molecular Formula: | C22 H19 N7 O4 S3 |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(/C=C(/C#N)C(Nc4nc(ns4)SC)=O)cc3OC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.69 |
| logD: | 3.69 |
| logSw: | -4.98 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 291.61 |
| InChI Key: | WYOAONWGGQRGCO-UHFFFAOYSA-N |