1,1'-(6-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3,5-triazine-2,4-diyl)bis(azepane)
Chemical Structure Depiction of
1,1'-(6-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3,5-triazine-2,4-diyl)bis(azepane)
1,1'-(6-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3,5-triazine-2,4-diyl)bis(azepane)
Compound characteristics
| Compound ID: | 0873-0050 |
| Compound Name: | 1,1'-(6-{2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3,5-triazine-2,4-diyl)bis(azepane) |
| Molecular Weight: | 516.44 |
| Molecular Formula: | C23 H30 Br N7 O2 |
| Smiles: | C1CCCN(CC1)c1nc(N/N=C/c2cc3c(cc2[Br])OCO3)nc(n1)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 7.3878 |
| logD: | 7.3421 |
| logSw: | -6.0423 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.912 |
| InChI Key: | IHMYMVJUUQZCOL-UHFFFAOYSA-N |