N~1~-(2-fluorophenyl)-4-oxo-N~8~-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-1,8-dicarboxamide
Chemical Structure Depiction of
N~1~-(2-fluorophenyl)-4-oxo-N~8~-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-1,8-dicarboxamide
N~1~-(2-fluorophenyl)-4-oxo-N~8~-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-1,8-dicarboxamide
Compound characteristics
| Compound ID: | S733-1214 |
| Compound Name: | N~1~-(2-fluorophenyl)-4-oxo-N~8~-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-1,8-dicarboxamide |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C23 H28 F N5 O3 |
| Smiles: | C1CC(CCNC(CCN(C1)C(Nc1ccccc1F)=O)=O)C(NCc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.163 |
| logD: | 0.1596 |
| logSw: | -1.272 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.206 |
| InChI Key: | KDPBJQUGDSRTST-SFHVURJKSA-N |