2-cyano-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide
Chemical Structure Depiction of
2-cyano-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide
2-cyano-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide
Compound characteristics
| Compound ID: | C679-0472 |
| Compound Name: | 2-cyano-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide |
| Molecular Weight: | 397.41 |
| Molecular Formula: | C18 H15 N5 O4 S |
| Smiles: | CC1=NN2C(=NC(COc3ccc(\C=C(/C#N)C(N)=O)cc3OC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 1.0757 |
| logD: | 1.0706 |
| logSw: | -2.3338 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.775 |
| InChI Key: | FGHSZBFRERUVFG-UHFFFAOYSA-N |