N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C679-0734 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide |
| Molecular Weight: | 521.62 |
| Molecular Formula: | C24 H23 N7 O3 S2 |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(cc2)OCC2=CC(N3C(=N2)SC(CC)=N3)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.67 |
| logD: | 4.67 |
| logSw: | -5.76 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 247.48 |
| InChI Key: | XVGPUEGTJBHTIO-UHFFFAOYSA-N |