3-[4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-[4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carbonyl]benzonitrile
3-[4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | S790-0043 |
| Compound Name: | 3-[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(c1cccc(C#N)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8305 |
| logD: | 0.8305 |
| logSw: | -1.8739 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.946 |
| InChI Key: | CWRNEIFHEOYKMP-UHFFFAOYSA-N |