N-{5-(ethanesulfonyl)-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}adamantane-1-carboxamide
Chemical Structure Depiction of
N-{5-(ethanesulfonyl)-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}adamantane-1-carboxamide
N-{5-(ethanesulfonyl)-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | F172-0789 |
| Compound Name: | N-{5-(ethanesulfonyl)-2-[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methoxy]phenyl}adamantane-1-carboxamide |
| Molecular Weight: | 525.62 |
| Molecular Formula: | C27 H31 N3 O6 S |
| Smiles: | CCS(c1ccc(c(c1)NC(C12CC3CC(CC(C3)C2)C1)=O)OCC1=CC(N2C(C=C(C)O2)=N1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.296 |
| logD: | 3.2743 |
| logSw: | -3.666 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.479 |
| InChI Key: | NVKPYWCESOCFQU-UHFFFAOYSA-N |