2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{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-{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-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C679-1057 |
| Compound Name: | 2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)-3-{4-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}acrylamide |
| Molecular Weight: | 507.59 |
| Molecular Formula: | C23 H21 N7 O3 S2 |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(cc2)OCC2=CC(N3C(=N2)SC(C)=N3)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.17 |
| logD: | 2.24 |
| logSw: | -5.23 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 253.26 |
| InChI Key: | CLPPYPIVJBBMNH-UHFFFAOYSA-N |