2-cyano-N~1~-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
2-cyano-N~1~-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C679-0844 |
| Compound Name: | 2-cyano-N~1~-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]-3-{3-methoxy-4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide |
| Molecular Weight: | 547.57 |
| Molecular Formula: | C24 H17 N7 O5 S2 |
| Smiles: | CC1=NN2C(=NC(COc3ccc(/C=C(/C#N)C(Nc4nnc(c5ccco5)s4)=O)cc3OC)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.27 |
| logD: | 3.12 |
| logSw: | -4.26 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 273.6 |
| InChI Key: | NTUDXMLDNMNVNV-UHFFFAOYSA-N |