2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Chemical Structure Depiction of
2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Compound characteristics
Compound ID: | 6290-0102 |
Compound Name: | 2-[(5-butyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide |
Molecular Weight: | 470.57 |
Molecular Formula: | C21 H22 N6 O3 S2 |
Smiles: | CCCCn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(cc1)S(N)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9479 |
logD: | 2.9469 |
logSw: | -3.5186 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 106.709 |
InChI Key: | JDGIJCUTANTUQX-UHFFFAOYSA-N |