4-N-benzyl-6-morpholin-4-yl-2-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
Formula:C25H30N8O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
4-N-benzyl-6-morpholin-4-yl-2-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine is a drug-like molecule.
| MolName | 4-N-benzyl-6-morpholin-4-yl-2-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C25H30N8O2 |
| Smiles | C(c1ccccc1)Nc1nc(N2CCOCC2)nc(N/N=C\c(cc2)ccc2N2CCOCC2)n1 |
| InChI | InChI=1S/C25H30N8O2/c1-2-4-20(5-3-1)18-26-23-28-24(30-25(29-23)33-12-16-35-17-13-33)31-27-19-21-6-8-22(9-7-21)32-10-14-34-15-11-32/h1-9,19H,10-18H2,(H2,26,28,29,30,31) |
| InChIK | IWEYKJQVMAYGKH-UHFFFAOYSA-N |
| TotalMolweight | 474.567 |
| Molweight | 474.567 |
| MonoisotopicMass | 474.249172 |
| CLogP | 4.6656 |
| CLogS | -4.924 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 374.18 |
| Relative PSA | 0.25239 |
| PolarSurfaceArea | 100.03 |
| Druglikeness | 3.4896 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 11 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 4-N-benzyl-6-morpholin-4-yl-2-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine | 2 - 4-N-benzyl-6-morpholin-4-yl-2-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
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