4-({2-[4-(azepan-1-yl)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-2-bromo-6-methoxyphenol
Chemical Structure Depiction of
4-({2-[4-(azepan-1-yl)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-2-bromo-6-methoxyphenol
4-({2-[4-(azepan-1-yl)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-2-bromo-6-methoxyphenol
Compound characteristics
| Compound ID: | 8005-6839 |
| Compound Name: | 4-({2-[4-(azepan-1-yl)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)-2-bromo-6-methoxyphenol |
| Molecular Weight: | 557.41 |
| Molecular Formula: | C23 H25 Br N8 O4 |
| Smiles: | COc1cc(\C=N/Nc2nc(Nc3ccc(cc3)[N+]([O-])=O)nc(n2)N2CCCCCC2)cc(c1O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.5418 |
| logD: | 6.4924 |
| logSw: | -5.5841 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.624 |
| InChI Key: | JJCOSQOVHDLFRP-UHFFFAOYSA-N |