5-(azepan-1-yl)-2-[2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(azepan-1-yl)-2-[2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile
5-(azepan-1-yl)-2-[2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0890 |
| Compound Name: | 5-(azepan-1-yl)-2-[2-(thiophen-2-yl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 299.39 |
| Molecular Formula: | C16 H17 N3 O S |
| Smiles: | C1CCCN(CC1)c1c(C#N)nc(/C=C/c2cccs2)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.9545 |
| logD: | 3.9545 |
| logSw: | -3.9973 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 40.77 |
| InChI Key: | KLDMEDJXQPOHFL-UHFFFAOYSA-N |