N-{4-[(4,6-dimethylpyrimidin-2-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-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8012-0641 |
| Compound Name: | N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 534.62 |
| Molecular Formula: | C24 H22 N8 O3 S2 |
| Smiles: | Cc1cc(C)nc(NS(c2ccc(cc2)NC(CSc2nc3c(c4ccccc4n3C)nn2)=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.519 |
| logD: | 2.0368 |
| logSw: | -2.987 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.906 |
| InChI Key: | YOFBYQRAIRSYTR-UHFFFAOYSA-N |