2-{[3-cyano-4,6-dimethyl-5-(prop-2-en-1-yl)pyridin-2-yl]sulfanyl}-N-(2,6-dibromo-4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4,6-dimethyl-5-(prop-2-en-1-yl)pyridin-2-yl]sulfanyl}-N-(2,6-dibromo-4-methoxyphenyl)acetamide
2-{[3-cyano-4,6-dimethyl-5-(prop-2-en-1-yl)pyridin-2-yl]sulfanyl}-N-(2,6-dibromo-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 8016-1204 |
| Compound Name: | 2-{[3-cyano-4,6-dimethyl-5-(prop-2-en-1-yl)pyridin-2-yl]sulfanyl}-N-(2,6-dibromo-4-methoxyphenyl)acetamide |
| Molecular Weight: | 525.26 |
| Molecular Formula: | C20 H19 Br2 N3 O2 S |
| Smiles: | Cc1c(CC=C)c(C)nc(c1C#N)SCC(Nc1c(cc(cc1[Br])OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.175 |
| logD: | 5.1746 |
| logSw: | -5.0788 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.645 |
| InChI Key: | XHIUULKBHYPPKI-UHFFFAOYSA-N |