N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
Formula:C25H28N7O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C25H28N7O3Cl |
| Smiles | Clc1ccc(COc2ccc(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1 |
| InChI | InChI=1S/C25H28ClN7O3/c26-21-5-1-20(2-6-21)18-36-22-7-3-19(4-8-22)17-27-31-23-28-24(32-9-13-34-14-10-32)30-25(29-23)33-11-15-35-16-12-33/h1-8,17H,9-16,18H2,(H,28,29,30,31) |
| InChIK | YHNOTEBZUPMGFJ-UHFFFAOYSA-N |
| TotalMolweight | 509.996 |
| Molweight | 509.996 |
| MonoisotopicMass | 509.194215 |
| CLogP | 5.5546 |
| CLogS | -5.618 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 388.14 |
| Relative PSA | 0.23955 |
| PolarSurfaceArea | 97.23 |
| Druglikeness | 3.3122 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 14 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
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