| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine |
| MolecularFormula | C20H26N7Cl |
| Smiles | Clc1c(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cccc1 |
| InChI | InChI=1S/C20H26ClN7/c21-17-10-4-3-9-16(17)15-22-26-18-23-19(27-11-5-1-6-12-27)25-20(24-18)28-13-7-2-8-14-28/h3-4,9-10,15H,1-2,5-8,11-14H2,(H,23,24,25,26) |
| InChIK | CUXWFAAHFVTXKF-UHFFFAOYSA-N |
| TotalMolweight | 399.928 |
| Molweight | 399.928 |
| MonoisotopicMass | 399.19382 |
| CLogP | 6.5345 |
| CLogS | -6.055 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 312.14 |
| Relative PSA | 0.20177 |
| PolarSurfaceArea | 69.54 |
| Druglikeness | 2.8442 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine