ethyl N-{3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carbonyl}phenylalaninate
Chemical Structure Depiction of
ethyl N-{3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carbonyl}phenylalaninate
ethyl N-{3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carbonyl}phenylalaninate
Compound characteristics
| Compound ID: | C447-0239 |
| Compound Name: | ethyl N-{3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carbonyl}phenylalaninate |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C26 H25 N3 O4 |
| Smiles: | CCOC(C(Cc1ccccc1)NC(c1cccc2CN(Cc3cccnc3)C(c12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6738 |
| logD: | 2.6738 |
| logSw: | -2.8168 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.2 |
| InChI Key: | VXGPFSXIQKJRGM-QFIPXVFZSA-N |