6-N-(4-iodophenyl)-5-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
Formula:C21H19N8O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-N-(4-iodophenyl)-5-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is not a drug-like molecule.
| MolName | 6-N-(4-iodophenyl)-5-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine |
| MolecularFormula | C21H19N8O2I |
| Smiles | Ic(cc1)ccc1Nc1nc2nonc2nc1N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C21H19IN8O2/c22-15-3-5-16(6-4-15)24-18-19(26-21-20(25-18)28-32-29-21)27-23-13-14-1-7-17(8-2-14)30-9-11-31-12-10-30/h1-8,13H,9-12H2,(H,24,25,28)(H,26,27,29) |
| InChIK | DKCPVEYVTNDALU-UHFFFAOYSA-N |
| TotalMolweight | 542.336 |
| Molweight | 542.336 |
| MonoisotopicMass | 542.06757 |
| CLogP | 5.6949 |
| CLogS | -6.635 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 347.91 |
| Relative PSA | 0.30459 |
| PolarSurfaceArea | 113.59 |
| Druglikeness | 4.7154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - 6-N-(4-iodophenyl)-5-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine | 2 - 6-N-(4-iodophenyl)-5-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
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