N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
Formula:C25H27N7O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C25H27N7O3Cl2 |
| Smiles | Clc1cc(Cl)c(COc2cc(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc2)cc1 |
| InChI | InChI=1S/C25H27Cl2N7O3/c26-20-5-4-19(22(27)15-20)17-37-21-3-1-2-18(14-21)16-28-32-23-29-24(33-6-10-35-11-7-33)31-25(30-23)34-8-12-36-13-9-34/h1-5,14-16H,6-13,17H2,(H,29,30,31,32) |
| InChIK | DJTIGZIVZFODHJ-UHFFFAOYSA-N |
| TotalMolweight | 544.441 |
| Molweight | 544.441 |
| MonoisotopicMass | 543.155242 |
| CLogP | 6.1606 |
| CLogS | -6.354 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 403.56 |
| Relative PSA | 0.2304 |
| PolarSurfaceArea | 97.23 |
| Druglikeness | 3.3122 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54054 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
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