octyl [(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
octyl [(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetate
octyl [(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8001-0702 |
| Compound Name: | octyl [(6-amino-3,5-dicyanopyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | CCCCCCCCOC(CSc1c(C#N)cc(C#N)c(N)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1438 |
| logD: | 4.1438 |
| logSw: | -4.2821 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.248 |
| InChI Key: | NWCVPVYGWSVXOI-UHFFFAOYSA-N |