2-N-[(Z)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
Formula:C26H24N7OI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-N-[(Z)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
| MolName | 2-N-[(Z)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C26H24N7OI |
| Smiles | Ic1cc(/C=N\Nc2nc(N3CCOCC3)nc(N(c3ccccc3)c3ccccc3)n2)ccc1 |
| InChI | InChI=1S/C26H24IN7O/c27-21-9-7-8-20(18-21)19-28-32-24-29-25(33-14-16-35-17-15-33)31-26(30-24)34(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-13,18-19H,14-17H2,(H,29,30,31,32) |
| InChIK | JMEJTSRAQUFNOP-UHFFFAOYSA-N |
| TotalMolweight | 577.425 |
| Molweight | 577.425 |
| MonoisotopicMass | 577.108706 |
| CLogP | 6.963 |
| CLogS | -8.63 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 383.46 |
| Relative PSA | 0.19032 |
| PolarSurfaceArea | 78.77 |
| Druglikeness | 3.7205 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-N-[(Z)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
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