N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
Formula:C27H31N7OCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine |
| MolecularFormula | C27H31N7OCl2 |
| Smiles | Clc1cc(Cl)c(COc2cc(/C=N\Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)ccc2)cc1 |
| InChI | InChI=1S/C27H31Cl2N7O/c28-22-11-10-21(24(29)17-22)19-37-23-9-7-8-20(16-23)18-30-34-25-31-26(35-12-3-1-4-13-35)33-27(32-25)36-14-5-2-6-15-36/h7-11,16-18H,1-6,12-15,19H2,(H,31,32,33,34) |
| InChIK | JNRQTYUHKFUCSE-UHFFFAOYSA-N |
| TotalMolweight | 540.497 |
| Molweight | 540.497 |
| MonoisotopicMass | 539.196712 |
| CLogP | 8.4886 |
| CLogS | -8.132 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 411.08 |
| Relative PSA | 0.17753 |
| PolarSurfaceArea | 78.77 |
| Druglikeness | 2.2485 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
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