2-{[8-(dimethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[8-(dimethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[8-(dimethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K781-6279 |
| Compound Name: | 2-{[8-(dimethylsulfamoyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 510.52 |
| Molecular Formula: | C20 H17 F3 N6 O3 S2 |
| Smiles: | CN(C)S(c1ccc2c(c1)c1c(nc(nn1)SCC(Nc1ccccc1C(F)(F)F)=O)[nH]2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6741 |
| logD: | 2.6741 |
| logSw: | -3.4763 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.65 |
| InChI Key: | NVWRRAHDBFVRFC-UHFFFAOYSA-N |