N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
Formula:C27H33N7O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine |
| MolecularFormula | C27H33N7O |
| Smiles | C(c1ccccc1)Oc1c(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cccc1 |
| InChI | InChI=1S/C27H33N7O/c1-4-12-22(13-5-1)21-35-24-15-7-6-14-23(24)20-28-32-25-29-26(33-16-8-2-9-17-33)31-27(30-25)34-18-10-3-11-19-34/h1,4-7,12-15,20H,2-3,8-11,16-19,21H2,(H,29,30,31,32) |
| InChIK | QJCVUIASTSBOHM-UHFFFAOYSA-N |
| TotalMolweight | 471.607 |
| Molweight | 471.607 |
| MonoisotopicMass | 471.274658 |
| CLogP | 7.2766 |
| CLogS | -6.66 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 380.24 |
| Relative PSA | 0.19193 |
| PolarSurfaceArea | 78.77 |
| Druglikeness | 2.2354 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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