N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 4625-0033 |
| Compound Name: | N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 566.62 |
| Molecular Formula: | C24 H22 N8 O5 S2 |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(cc1)S(Nc1cc(nc(n1)OC)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9887 |
| logD: | -0.1389 |
| logSw: | -3.651 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 131.514 |
| InChI Key: | KIASWUDTABZYIN-UHFFFAOYSA-N |