| MolName | N-[(Z)-benzylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine |
| MolecularFormula | C20H27N7 |
| Smiles | C(CC1)CCN1c1nc(N/N=C\c2ccccc2)nc(N2CCCCC2)n1 |
| InChI | InChI=1S/C20H27N7/c1-4-10-17(11-5-1)16-21-25-18-22-19(26-12-6-2-7-13-26)24-20(23-18)27-14-8-3-9-15-27/h1,4-5,10-11,16H,2-3,6-9,12-15H2,(H,22,23,24,25) |
| InChIK | CTGHKVXNRNJHDF-UHFFFAOYSA-N |
| TotalMolweight | 365.483 |
| Molweight | 365.483 |
| MonoisotopicMass | 365.232793 |
| CLogP | 5.9285 |
| CLogS | -5.319 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 296.72 |
| Relative PSA | 0.21225 |
| PolarSurfaceArea | 69.54 |
| Druglikeness | 2.872 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-benzylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine