5-(azepan-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(azepan-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-(azepan-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0468 |
| Compound Name: | 5-(azepan-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C20 H23 N3 O3 |
| Smiles: | COc1ccc(/C=C/c2nc(C#N)c(N3CCCCCC3)o2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.1967 |
| logD: | 4.1967 |
| logSw: | -4.3172 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.012 |
| InChI Key: | LNXWYOVAQQLOIY-UHFFFAOYSA-N |