2-methylpropyl [(3-cyano-6-phenylpyridin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
2-methylpropyl [(3-cyano-6-phenylpyridin-2-yl)sulfanyl]acetate
2-methylpropyl [(3-cyano-6-phenylpyridin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | D360-0753 |
| Compound Name: | 2-methylpropyl [(3-cyano-6-phenylpyridin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 326.42 |
| Molecular Formula: | C18 H18 N2 O2 S |
| Smiles: | CC(C)COC(CSc1c(C#N)ccc(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7323 |
| logD: | 4.7323 |
| logSw: | -4.6382 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.305 |
| InChI Key: | NCTDIBJBKLKNGF-UHFFFAOYSA-N |