2-cyano-N~1~-(5-isobutyl-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-isobutyl-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-isobutyl-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: | C679-1060 |
| Compound Name: | 2-cyano-N~1~-(5-isobutyl-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: | 537.62 |
| Molecular Formula: | C24 H23 N7 O4 S2 |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(c(c2)OC)OCC2=CC(N3C(=N2)SC(C)=N3)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.89 |
| logD: | 1.96 |
| logSw: | -5.04 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 264.46 |
| InChI Key: | JVNGPVKGNUWUIO-UHFFFAOYSA-N |