methyl 4-{[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}benzoate
methyl 4-{[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}benzoate
Compound characteristics
Compound ID: | 1348-1390 |
Compound Name: | methyl 4-{[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}benzoate |
Molecular Weight: | 346.35 |
Molecular Formula: | C18 H14 N6 O2 |
Smiles: | [H]N(c1nc2c(c3ccccc3n2[H])nn1)/N=C/c1ccc(cc1)C(=O)OC |
Stereo: | ACHIRAL |
logP: | 3.0477 |
logD: | 3.0474 |
logSw: | -3.3068 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.529 |
InChI Key: | GFFFNUMDZLXCIE-UHFFFAOYSA-N |