4-({2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)phenyl 3-methyl-4-nitrobenzoate
Chemical Structure Depiction of
4-({2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)phenyl 3-methyl-4-nitrobenzoate
4-({2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)phenyl 3-methyl-4-nitrobenzoate
Compound characteristics
| Compound ID: | 1071-0001 |
| Compound Name: | 4-({2-[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl)phenyl 3-methyl-4-nitrobenzoate |
| Molecular Weight: | 544.61 |
| Molecular Formula: | C28 H32 N8 O4 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(=O)Oc1ccc(/C=N/Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.1366 |
| logD: | 7.1127 |
| logSw: | -5.586 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.593 |
| InChI Key: | RCJSCTQOWDRXDE-UHFFFAOYSA-N |