4-(7-oxo-1,4,8-oxadiazecane-4-carbonyl)benzonitrile
Chemical Structure Depiction of
4-(7-oxo-1,4,8-oxadiazecane-4-carbonyl)benzonitrile
4-(7-oxo-1,4,8-oxadiazecane-4-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | S766-0035 |
| Compound Name: | 4-(7-oxo-1,4,8-oxadiazecane-4-carbonyl)benzonitrile |
| Molecular Weight: | 287.32 |
| Molecular Formula: | C15 H17 N3 O3 |
| Smiles: | C1CN(CCOCCNC1=O)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3759 |
| logD: | -0.3759 |
| logSw: | -1.5444 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.206 |
| InChI Key: | JRGCOQJCEKSXSA-UHFFFAOYSA-N |