N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}adamantane-1-carboxamide
Chemical Structure Depiction of
N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}adamantane-1-carboxamide
N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | C679-4012 |
| Compound Name: | N-{3-[(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl}adamantane-1-carboxamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(Nc1cccc(c1)OCC1=CC(N2C(=N1)SC(C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8707 |
| logD: | 4.8655 |
| logSw: | -4.7385 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.068 |
| InChI Key: | YHTWNLOLNAPVBK-UHFFFAOYSA-N |