N-(1,3-benzothiazol-2-yl)-2-cyano-3-{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
N-(1,3-benzothiazol-2-yl)-2-cyano-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide
N-(1,3-benzothiazol-2-yl)-2-cyano-3-{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: | C679-0529 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-cyano-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}prop-2-enamide |
| Molecular Weight: | 500.56 |
| Molecular Formula: | C24 H16 N6 O3 S2 |
| Smiles: | CC1=NN2C(=NC(COc3ccc(\C=C(/C#N)C(Nc4nc5ccccc5s4)=O)cc3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.4959 |
| logD: | 4.4608 |
| logSw: | -4.323 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.852 |
| InChI Key: | ZBTBGTCRRLSRCQ-UHFFFAOYSA-N |