| MolName | 2-[(4Z)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide |
| MolecularFormula | C26H25N5O5 |
| Smiles | O=C(CN(C(/C(/N1)=C/c2cn(CC(N3CCOCC3)=O)c3c2cccc3)=O)C1=O)Nc1ccccc1 |
| InChI | InChI=1S/C26H25N5O5/c32-23(27-19-6-2-1-3-7-19)16-31-25(34)21(28-26(31)35)14-18-15-30(22-9-5-4-8-20(18)22)17-24(33)29-10-12-36-13-11-29/h1-9,14-15H,10-13,16-17H2,(H,27,32)(H,28,35) |
| InChIK | XFEBBDDVGZWDKG-UHFFFAOYSA-N |
| TotalMolweight | 487.515 |
| Molweight | 487.515 |
| MonoisotopicMass | 487.18557 |
| CLogP | 1.2547 |
| CLogS | -3.013 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 361.61 |
| Relative PSA | 0.27391 |
| PolarSurfaceArea | 112.98 |
| Druglikeness | 5.2653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(4Z)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide | 2 - 2-[(4Z)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide