3-(4-oxo-2-phenyl-1,5-diazacycloundecane-1-carbonyl)benzonitrile
Chemical Structure Depiction of
3-(4-oxo-2-phenyl-1,5-diazacycloundecane-1-carbonyl)benzonitrile
3-(4-oxo-2-phenyl-1,5-diazacycloundecane-1-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | S796-0033 |
| Compound Name: | 3-(4-oxo-2-phenyl-1,5-diazacycloundecane-1-carbonyl)benzonitrile |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C23 H25 N3 O2 |
| Smiles: | C1CCCN(C(CC(NCC1)=O)c1ccccc1)C(c1cccc(C#N)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7639 |
| logD: | 2.7639 |
| logSw: | -3.1233 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.72 |
| InChI Key: | BCEMBEOJNZQAQW-NRFANRHFSA-N |