N-(1,3-benzothiazol-2-yl)-2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}prop-2-enamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}prop-2-enamide
N-(1,3-benzothiazol-2-yl)-2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}prop-2-enamide
Compound characteristics
| Compound ID: | C679-0533 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]-3-methoxyphenyl}prop-2-enamide |
| Molecular Weight: | 544.61 |
| Molecular Formula: | C26 H20 N6 O4 S2 |
| Smiles: | CCC1=NN2C(=NC(COc3ccc(\C=C(/C#N)C(Nc4nc5ccccc5s4)=O)cc3OC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5924 |
| logD: | 4.5559 |
| logSw: | -4.4699 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.299 |
| InChI Key: | JFUCETYFDZQSGP-UHFFFAOYSA-N |