2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Chemical Structure Depiction of
2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | K781-5839 |
| Compound Name: | 2-{[8-(diethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide |
| Molecular Weight: | 506.55 |
| Molecular Formula: | C21 H20 F2 N6 O3 S2 |
| Smiles: | CCN(CC)S(c1ccc2c(c1)c1c(nc(nn1)SCC(Nc1ccc(c(c1)F)F)=O)[nH]2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1016 |
| logD: | 3.0935 |
| logSw: | -3.4263 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.78 |
| InChI Key: | OXIPAUFZZQBDPK-UHFFFAOYSA-N |