2-{[2-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}-6-nitrophenol
Chemical Structure Depiction of
2-{[2-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}-6-nitrophenol
2-{[2-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}-6-nitrophenol
Compound characteristics
| Compound ID: | 1109-0048 |
| Compound Name: | 2-{[2-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}-6-nitrophenol |
| Molecular Weight: | 439.43 |
| Molecular Formula: | C23 H17 N7 O3 |
| Smiles: | C(c1ccccc1)n1c2ccccc2c2c1nc(N/N=C\c1cccc(c1O)[N+]([O-])=O)nn2 |
| Stereo: | ACHIRAL |
| logP: | 5.0776 |
| logD: | 4.1432 |
| logSw: | -4.9878 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.087 |
| InChI Key: | HKCVXAMTWVZBNR-UHFFFAOYSA-N |