1,1'-(6-{2-[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinyl}-1,3,5-triazine-2,4-diyl)bis(azepane)
Chemical Structure Depiction of
1,1'-(6-{2-[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinyl}-1,3,5-triazine-2,4-diyl)bis(azepane)
1,1'-(6-{2-[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinyl}-1,3,5-triazine-2,4-diyl)bis(azepane)
Compound characteristics
| Compound ID: | 0873-0058 |
| Compound Name: | 1,1'-(6-{2-[3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]hydrazinyl}-1,3,5-triazine-2,4-diyl)bis(azepane) |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C22 H30 N8 O3 |
| Smiles: | C1CCCN(CC1)c1nc(N/N=C/C=C/c2ccc([N+]([O-])=O)o2)nc(n1)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.8602 |
| logD: | 5.8581 |
| logSw: | -5.8374 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.259 |
| InChI Key: | DUNCNWLYQBOQST-UHFFFAOYSA-N |