[4-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C26H25N7O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C26H25N7O3 |
| Smiles | O=C(c1ccco1)Oc1ccc(/C=N\Nc2nc(N3CCCCC3)nc(Nc3ccccc3)n2)cc1 |
| InChI | InChI=1S/C26H25N7O3/c34-23(22-10-7-17-35-22)36-21-13-11-19(12-14-21)18-27-32-25-29-24(28-20-8-3-1-4-9-20)30-26(31-25)33-15-5-2-6-16-33/h1,3-4,7-14,17-18H,2,5-6,15-16H2,(H2,28,29,30,31,32) |
| InChIK | NASOUWSOXHTCIJ-UHFFFAOYSA-N |
| TotalMolweight | 483.531 |
| Molweight | 483.531 |
| MonoisotopicMass | 483.201888 |
| CLogP | 7.2451 |
| CLogS | -7.057 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 379.54 |
| Relative PSA | 0.28466 |
| PolarSurfaceArea | 117.77 |
| Druglikeness | 2.4502 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [4-[(Z)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
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