4-[4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carbonyl]benzonitrile
4-[4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S790-0035 |
| Compound Name: | 4-[4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carbonyl]benzonitrile |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C23 H30 N4 O3 |
| Smiles: | C1CCCN(CCC(NCC1)=O)C(C1CCN(CC1)C(c1ccc(C#N)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9478 |
| logD: | 0.9478 |
| logSw: | -1.7381 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.946 |
| InChI Key: | NYTKESWJSXIFKW-UHFFFAOYSA-N |