N-[1-(adamantan-1-yl)ethyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
N-[1-(adamantan-1-yl)ethyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
Compound characteristics
| Compound ID: | C447-0266 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C27 H31 N3 O2 |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(c1cccc2CN(Cc3cccnc3)C(c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9173 |
| logD: | 3.9173 |
| logSw: | -3.9571 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.013 |
| InChI Key: | OTBRGWMEJMDCLE-SNWHFVAUSA-N |