4-({2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)phenyl 3,5-dinitrobenzoate
Chemical Structure Depiction of
4-({2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)phenyl 3,5-dinitrobenzoate
4-({2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)phenyl 3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 3229-0007 |
| Compound Name: | 4-({2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)phenyl 3,5-dinitrobenzoate |
| Molecular Weight: | 575.58 |
| Molecular Formula: | C27 H29 N9 O6 |
| Smiles: | C1CCN(CC1)c1nc(N/N=C/c2ccc(cc2)OC(c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)nc(n1)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.4537 |
| logD: | 6.4298 |
| logSw: | -5.9824 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 144.276 |
| InChI Key: | OIYPSFOTBSGZBF-UHFFFAOYSA-N |