| MolName | (2Z)-5-amino-2-[(2-hydroxyphenyl)methylidene]-6-morpholin-4-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione |
| MolecularFormula | C17H17N5O4 |
| Smiles | NC(N(C(/C(/N1)=C/c(cccc2)c2O)=O)C1=NC1=O)=C1N1CCOCC1 |
| InChI | InChI=1S/C17H17N5O4/c18-14-13(21-5-7-26-8-6-21)15(24)20-17-19-11(16(25)22(14)17)9-10-3-1-2-4-12(10)23/h1-4,9,23H,5-8,18H2,(H,19,20,24) |
| InChIK | WCUNVPFYZXHEFG-UHFFFAOYSA-N |
| TotalMolweight | 355.353 |
| Molweight | 355.353 |
| MonoisotopicMass | 355.128055 |
| CLogP | -0.2538 |
| CLogS | -3.451 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 250.83 |
| Relative PSA | 0.37683 |
| PolarSurfaceArea | 120.49 |
| Druglikeness | 4.2289 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - (2Z)-5-amino-2-[(2-hydroxyphenyl)methylidene]-6-morpholin-4-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione | 2 - (2Z)-5-amino-2-[(2-hydroxyphenyl)methylidene]-6-morpholin-4-yl-1H-imidazo[1,2-a]pyrimidine-3,7-dione