2-{[3-cyano-4-(1-methyl-1H-pyrrol-2-yl)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridin-2-yl]sulfanyl}-N-(3,5-dibromopyridin-2-yl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(1-methyl-1H-pyrrol-2-yl)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridin-2-yl]sulfanyl}-N-(3,5-dibromopyridin-2-yl)acetamide
2-{[3-cyano-4-(1-methyl-1H-pyrrol-2-yl)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridin-2-yl]sulfanyl}-N-(3,5-dibromopyridin-2-yl)acetamide
Compound characteristics
| Compound ID: | 8294-0101 |
| Compound Name: | 2-{[3-cyano-4-(1-methyl-1H-pyrrol-2-yl)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridin-2-yl]sulfanyl}-N-(3,5-dibromopyridin-2-yl)acetamide |
| Molecular Weight: | 579.33 |
| Molecular Formula: | C21 H17 Br2 N5 O S2 |
| Smiles: | Cn1cccc1c1c2CSCCc2nc(c1C#N)SCC(Nc1c(cc(cn1)[Br])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5422 |
| logD: | 5.4573 |
| logSw: | -5.2544 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.264 |
| InChI Key: | ZWOURXHOHNEHTG-UHFFFAOYSA-N |