N-[(Z)-[3-[(3-chlorophenyl)diazenyl]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
Formula:C26H30N9Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3-[(3-chlorophenyl)diazenyl]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(3-chlorophenyl)diazenyl]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine |
| MolecularFormula | C26H30N9Cl |
| Smiles | Clc1cc(/N=N/c2cc(/C=N\Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)ccc2)ccc1 |
| InChI | InChI=1S/C26H30ClN9/c27-21-10-8-12-23(18-21)33-32-22-11-7-9-20(17-22)19-28-34-24-29-25(35-13-3-1-4-14-35)31-26(30-24)36-15-5-2-6-16-36/h7-12,17-19H,1-6,13-16H2,(H,29,30,31,34) |
| InChIK | AWJLIQSKEYSLPN-UHFFFAOYSA-N |
| TotalMolweight | 504.04 |
| Molweight | 504.04 |
| MonoisotopicMass | 503.231268 |
| CLogP | 8.7367 |
| CLogS | -8.547 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 394.92 |
| Relative PSA | 0.21777 |
| PolarSurfaceArea | 94.26 |
| Druglikeness | -1.7058 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | azo; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[3-[(3-chlorophenyl)diazenyl]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-[3-[(3-chlorophenyl)diazenyl]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
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