N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)adamantane-1-carboxamide
N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | G566-0865 |
| Compound Name: | N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)adamantane-1-carboxamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | CC1=CC2=NC(CSc3ccc(cc3)NC(C34CC5CC(CC(C5)C4)C3)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6966 |
| logD: | 4.6966 |
| logSw: | -4.3975 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.555 |
| InChI Key: | GITWYQAYFPLBOX-UHFFFAOYSA-N |