8-bromo-3-{2-[1-(4-ethoxyphenyl)ethylidene]hydrazinyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
Chemical Structure Depiction of
8-bromo-3-{2-[1-(4-ethoxyphenyl)ethylidene]hydrazinyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
8-bromo-3-{2-[1-(4-ethoxyphenyl)ethylidene]hydrazinyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
Compound characteristics
Compound ID: | 1109-0027 |
Compound Name: | 8-bromo-3-{2-[1-(4-ethoxyphenyl)ethylidene]hydrazinyl}-5-methyl-5H-[1,2,4]triazino[5,6-b]indole |
Molecular Weight: | 439.31 |
Molecular Formula: | C20 H19 Br N6 O |
Smiles: | CCOc1ccc(cc1)C(\C)=N/Nc1nc2c(c3cc(ccc3n2C)[Br])nn1 |
Stereo: | ACHIRAL |
logP: | 4.5946 |
logD: | 4.5939 |
logSw: | -4.321 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.021 |
InChI Key: | UWZGKKCYOOYSAV-UHFFFAOYSA-N |