2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide
Chemical Structure Depiction of
2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide
2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide
Compound characteristics
| Compound ID: | 4729-0371 |
| Compound Name: | 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide |
| Molecular Weight: | 481.45 |
| Molecular Formula: | C24 H14 F3 N3 O3 S |
| Smiles: | Cc1cc(c(C#N)c(n1)SCC(Nc1ccc2C(c3ccccc3C(c2c1)=O)=O)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.2309 |
| logD: | 5.2301 |
| logSw: | -5.1274 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.668 |
| InChI Key: | SHCGDNCKPRTYIF-UHFFFAOYSA-N |