5-(azepan-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(azepan-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-(azepan-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0521 |
| Compound Name: | 5-(azepan-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C21 H25 N3 O4 |
| Smiles: | COc1cc(/C=C/c2nc(C#N)c(N3CCCCCC3)o2)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.035 |
| logD: | 4.035 |
| logSw: | -4.1847 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.729 |
| InChI Key: | YKILRTFMQOBGCR-UHFFFAOYSA-N |