N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
Formula:C24H25N9O7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3-(2,4-dinitrophenoxy)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-dinitrophenoxy)phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C24H25N9O7 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1)=O |
| InChI | InChI=1S/C24H25N9O7/c34-32(35)18-4-5-21(20(15-18)33(36)37)40-19-3-1-2-17(14-19)16-25-29-22-26-23(30-6-10-38-11-7-30)28-24(27-22)31-8-12-39-13-9-31/h1-5,14-16H,6-13H2,(H,26,27,28,29) |
| InChIK | FBYXOALFIQODJG-UHFFFAOYSA-N |
| TotalMolweight | 551.519 |
| Molweight | 551.519 |
| MonoisotopicMass | 551.187696 |
| CLogP | 2.6417 |
| CLogS | -6.758 |
| H Acceptors | 16 |
| H Donors | 1 |
| TotalSurfaceArea | 406.3 |
| Relative PSA | 0.37859 |
| PolarSurfaceArea | 188.87 |
| Druglikeness | -1.8712 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 16 |
| Electronegative Atoms | 16 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 13 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
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