2-cyano-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N-(4-methylphenyl)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}-N-(4-methylphenyl)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}-N-(4-methylphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | C679-0436 |
| 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}-N-(4-methylphenyl)prop-2-enamide |
| Molecular Weight: | 487.54 |
| Molecular Formula: | C25 H21 N5 O4 S |
| Smiles: | CC1=NN2C(=NC(COc3ccc(\C=C(/C#N)C(Nc4ccc(C)cc4)=O)cc3OC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7751 |
| logD: | 3.7684 |
| logSw: | -4.0803 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.808 |
| InChI Key: | CKVOHAKJWRVKFB-UHFFFAOYSA-N |