N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C25H28N7OCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C25H28N7OCl |
| Smiles | Clc1ccc(COc2c(/C=N\Nc3nc(N4CCCC4)nc(N4CCCC4)n3)cccc2)cc1 |
| InChI | InChI=1S/C25H28ClN7O/c26-21-11-9-19(10-12-21)18-34-22-8-2-1-7-20(22)17-27-31-23-28-24(32-13-3-4-14-32)30-25(29-23)33-15-5-6-16-33/h1-2,7-12,17H,3-6,13-16,18H2,(H,28,29,30,31) |
| InChIK | WGUNHPACGUELMA-UHFFFAOYSA-N |
| TotalMolweight | 477.998 |
| Molweight | 477.998 |
| MonoisotopicMass | 477.204385 |
| CLogP | 7.1986 |
| CLogS | -6.856 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 368.14 |
| Relative PSA | 0.19824 |
| PolarSurfaceArea | 78.77 |
| Druglikeness | 3.6858 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
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