2-N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
Formula:C27H26N7O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
| MolName | 2-N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C27H26N7O2Cl |
| Smiles | Clc1ccc(COc2c(/C=N\Nc3nc(N4CCOCC4)nc(Nc4ccccc4)n3)cccc2)cc1 |
| InChI | InChI=1S/C27H26ClN7O2/c28-22-12-10-20(11-13-22)19-37-24-9-5-4-6-21(24)18-29-34-26-31-25(30-23-7-2-1-3-8-23)32-27(33-26)35-14-16-36-17-15-35/h1-13,18H,14-17,19H2,(H2,30,31,32,33,34) |
| InChIK | ZVDGPJIJUNPDMQ-UHFFFAOYSA-N |
| TotalMolweight | 516.003 |
| Molweight | 516.003 |
| MonoisotopicMass | 515.18365 |
| CLogP | 7.416 |
| CLogS | -7.093 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 397.52 |
| Relative PSA | 0.22864 |
| PolarSurfaceArea | 96.79 |
| Druglikeness | 3.4415 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 2-N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
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