5-(azepan-1-yl)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(azepan-1-yl)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-(azepan-1-yl)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0784 |
| Compound Name: | 5-(azepan-1-yl)-2-[2-(4-ethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 337.42 |
| Molecular Formula: | C20 H23 N3 O2 |
| Smiles: | CCOc1ccc(/C=C/c2nc(C#N)c(N3CCCCCC3)o2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8597 |
| logD: | 4.8597 |
| logSw: | -4.445 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 46.875 |
| InChI Key: | IKXZYLWIHJKPID-UHFFFAOYSA-N |