4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)benzonitrile
Chemical Structure Depiction of
4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)benzonitrile
4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | S782-0025 |
| Compound Name: | 4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)benzonitrile |
| Molecular Weight: | 299.37 |
| Molecular Formula: | C17 H21 N3 O2 |
| Smiles: | C1CCCN(CCC(NCC1)=O)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0304 |
| logD: | 1.0304 |
| logSw: | -1.8264 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.298 |
| InChI Key: | GGHAXBOVMFCQLR-UHFFFAOYSA-N |