N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
Formula:C18H21N7O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C18H21N7O2Cl2 |
| Smiles | Clc(ccc(/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1)c1Cl |
| InChI | InChI=1S/C18H21Cl2N7O2/c19-14-2-1-13(11-15(14)20)12-21-25-16-22-17(26-3-7-28-8-4-26)24-18(23-16)27-5-9-29-10-6-27/h1-2,11-12H,3-10H2,(H,22,23,24,25) |
| InChIK | IRYMRFAWVMXXKL-UHFFFAOYSA-N |
| TotalMolweight | 438.318 |
| Molweight | 438.318 |
| MonoisotopicMass | 437.113377 |
| CLogP | 4.8125 |
| CLogS | -5.013 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 320.04 |
| Relative PSA | 0.25928 |
| PolarSurfaceArea | 88 |
| Druglikeness | 3.3122 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
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