1,1'-(6-{2-[(7-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}pyrimidine-2,4-diyl)bis(azepane)
Chemical Structure Depiction of
1,1'-(6-{2-[(7-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}pyrimidine-2,4-diyl)bis(azepane)
1,1'-(6-{2-[(7-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}pyrimidine-2,4-diyl)bis(azepane)
Compound characteristics
| Compound ID: | 1593-0115 |
| Compound Name: | 1,1'-(6-{2-[(7-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}pyrimidine-2,4-diyl)bis(azepane) |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C24 H31 N7 O4 |
| Smiles: | C1CCCN(CC1)c1cc(N/N=C/c2cc(c3c(c2)OCO3)[N+]([O-])=O)nc(n1)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.7473 |
| logD: | 6.7406 |
| logSw: | -6.1551 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.352 |
| InChI Key: | NINRXMNTQOCOBU-UHFFFAOYSA-N |