N-(1,3-benzothiazol-2-yl)-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
N-(1,3-benzothiazol-2-yl)-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
N-(1,3-benzothiazol-2-yl)-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: | C679-0532 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-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: | 530.58 |
| Molecular Formula: | C25 H18 N6 O4 S2 |
| Smiles: | CC1=NN2C(=NC(COc3ccc(\C=C(/C#N)C(Nc4nc5ccccc5s4)=O)cc3OC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.2211 |
| logD: | 4.186 |
| logSw: | -4.4198 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.569 |
| InChI Key: | VFNOPOZNJOOXSD-UHFFFAOYSA-N |