4-{5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-carbonyl}benzonitrile
4-{5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S791-0621 |
| Compound Name: | 4-{5-oxo-7-phenyl-8-[(pyridin-4-yl)methyl]-1,4,8-triazacycloundecane-1-carbonyl}benzonitrile |
| Molecular Weight: | 467.57 |
| Molecular Formula: | C28 H29 N5 O2 |
| Smiles: | C1CN(Cc2ccncc2)C(CC(NCCN(C1)C(c1ccc(C#N)cc1)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5624 |
| logD: | 1.538 |
| logSw: | -1.8368 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.854 |
| InChI Key: | LCVIIOFKIXQBIS-SANMLTNESA-N |