2-[(4-oxo-1,5-diazacycloundecan-1-yl)methyl]benzonitrile
Chemical Structure Depiction of
2-[(4-oxo-1,5-diazacycloundecan-1-yl)methyl]benzonitrile
2-[(4-oxo-1,5-diazacycloundecan-1-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | S782-0159 |
| Compound Name: | 2-[(4-oxo-1,5-diazacycloundecan-1-yl)methyl]benzonitrile |
| Molecular Weight: | 285.39 |
| Molecular Formula: | C17 H23 N3 O |
| Smiles: | C1CCCN(CCC(NCC1)=O)Cc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 1.8579 |
| logD: | 1.7056 |
| logSw: | -2.6842 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.382 |
| InChI Key: | ZGZPNSHDPIGOON-UHFFFAOYSA-N |