N-(2-{[(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-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)adamantane-1-carboxamide
N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | G072-1656 |
| Compound Name: | N-(2-{[(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: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(Nc1ccccc1SCC1=CC(N2C(C=C(C)O2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4611 |
| logD: | 4.461 |
| logSw: | -4.3408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.857 |
| InChI Key: | CSOFIAZGAVLMDD-UHFFFAOYSA-N |