3-(7-oxo-1,4,8-oxadiazecane-4-carbonyl)benzonitrile
Chemical Structure Depiction of
3-(7-oxo-1,4,8-oxadiazecane-4-carbonyl)benzonitrile
3-(7-oxo-1,4,8-oxadiazecane-4-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | S766-0043 |
| Compound Name: | 3-(7-oxo-1,4,8-oxadiazecane-4-carbonyl)benzonitrile |
| Molecular Weight: | 287.32 |
| Molecular Formula: | C15 H17 N3 O3 |
| Smiles: | C1CN(CCOCCNC1=O)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4933 |
| logD: | -0.4933 |
| logSw: | -1.754 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.206 |
| InChI Key: | CDDZEWZFCCQQQQ-UHFFFAOYSA-N |