2-cyano-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
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~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-N~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C679-0700 |
| 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~1~-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 495.54 |
| Molecular Formula: | C21 H17 N7 O4 S2 |
| Smiles: | CC1=NN2C(=NC(COc3ccc(/C=C(/C#N)C(Nc4nnc(C)s4)=O)cc3OC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.28 |
| logD: | 0.33 |
| logSw: | -3.95 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 271.84 |
| InChI Key: | LGTUKZRHRDAEEI-UHFFFAOYSA-N |