N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)adamantane-1-carboxamide
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | G072-1131 |
| Compound Name: | N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)adamantane-1-carboxamide |
| Molecular Weight: | 480.65 |
| Molecular Formula: | C25 H28 N4 O2 S2 |
| Smiles: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(Nc1ccccc1SCC1=CC(N2C(=N1)SC(CC)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5699 |
| logD: | 5.5667 |
| logSw: | -5.4745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.601 |
| InChI Key: | MYSZRFMOBUPUBZ-UHFFFAOYSA-N |