N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
Formula:C20H25N7Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine |
| MolecularFormula | C20H25N7Cl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 |
| InChI | InChI=1S/C20H25Cl2N7/c21-16-8-7-15(17(22)13-16)14-23-27-18-24-19(28-9-3-1-4-10-28)26-20(25-18)29-11-5-2-6-12-29/h7-8,13-14H,1-6,9-12H2,(H,24,25,26,27) |
| InChIK | QGBIEXIWEMIEHP-UHFFFAOYSA-N |
| TotalMolweight | 434.374 |
| Molweight | 434.374 |
| MonoisotopicMass | 433.154847 |
| CLogP | 7.1405 |
| CLogS | -6.791 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 327.56 |
| Relative PSA | 0.19227 |
| PolarSurfaceArea | 69.54 |
| Druglikeness | 2.8442 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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 |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
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