N-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}adamantane-1-carboxamide
Chemical Structure Depiction of
N-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}adamantane-1-carboxamide
N-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | C679-4429 |
| Compound Name: | N-{4-[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}adamantane-1-carboxamide |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C25 H28 N4 O3 S |
| Smiles: | [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(Nc1ccc(cc1)OCC1=CC(N2C(=N1)SC(CC)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1571 |
| logD: | 5.1506 |
| logSw: | -5.0111 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.798 |
| InChI Key: | BCRADFPVBJQQQP-UHFFFAOYSA-N |