N-{3-[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methylbutanamide
Chemical Structure Depiction of
N-{3-[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methylbutanamide
N-{3-[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methylbutanamide
Compound characteristics
| Compound ID: | C679-5828 |
| Compound Name: | N-{3-[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}-3-methylbutanamide |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Smiles: | CC(C)CC(Nc1cccc(c1)OCC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7994 |
| logD: | 4.7992 |
| logSw: | -4.5459 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.84 |
| InChI Key: | PGOVADPQSIIOKJ-UHFFFAOYSA-N |