4-{[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}phenyl 4-bromobenzoate
Chemical Structure Depiction of
4-{[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}phenyl 4-bromobenzoate
4-{[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}phenyl 4-bromobenzoate
Compound characteristics
| Compound ID: | 1348-1128 |
| Compound Name: | 4-{[2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}phenyl 4-bromobenzoate |
| Molecular Weight: | 487.31 |
| Molecular Formula: | C23 H15 Br N6 O2 |
| Smiles: | [H]N(c1nc2c(c3ccccc3n2[H])nn1)/N=C/c1ccc(cc1)OC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8903 |
| logD: | 4.89 |
| logSw: | -5.1756 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.733 |
| InChI Key: | CEJYQLXGCXZUKP-UHFFFAOYSA-N |