2-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoic acid
Chemical Structure Depiction of
2-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoic acid
2-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoic acid
Compound characteristics
Compound ID: | 8015-6191 |
Compound Name: | 2-(2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamido)benzoic acid |
Molecular Weight: | 421.48 |
Molecular Formula: | C21 H19 N5 O3 S |
Smiles: | CC(C)n1c2ccccc2c2c1nc(nn2)SCC(Nc1ccccc1C(O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.8198 |
logD: | -0.5931 |
logSw: | -3.8578 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 84.913 |
InChI Key: | PIBYLIOCUSEBMR-UHFFFAOYSA-N |