2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
Compound characteristics
Compound ID: | 2683-0126 |
Compound Name: | 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide |
Molecular Weight: | 454.53 |
Molecular Formula: | C20 H18 N6 O3 S2 |
Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(cc1)S(N)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.2841 |
logD: | 2.2831 |
logSw: | -2.7973 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 106.709 |
InChI Key: | MXKWZTHNLYUULM-UHFFFAOYSA-N |