2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-[3-(isopropylsulfanyl)-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-(isopropylsulfanyl)-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-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C679-1130 |
| 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-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 539.66 |
| Molecular Formula: | C23 H21 N7 O3 S3 |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(/C=C(/C#N)C(Nc4nc(ns4)SC(C)C)=O)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.77 |
| logD: | 4.77 |
| logSw: | -5.56 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 272.24 |
| InChI Key: | MZMUESXINDQAOO-UHFFFAOYSA-N |