| MolName | N-(2-fluorophenyl)-2-[(4E)-4-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide |
| MolecularFormula | C31H23N4O3F |
| Smiles | O=C(CN(C(/C(/N1)=C\c2cn(Cc3cccc4ccccc34)c3c2cccc3)=O)C1=O)Nc(cccc1)c1F |
| InChI | InChI=1S/C31H23FN4O3/c32-25-13-4-5-14-26(25)33-29(37)19-36-30(38)27(34-31(36)39)16-22-18-35(28-15-6-3-12-24(22)28)17-21-10-7-9-20-8-1-2-11-23(20)21/h1-16,18H,17,19H2,(H,33,37)(H,34,39) |
| InChIK | UTIKNKAIDLHFPL-UHFFFAOYSA-N |
| TotalMolweight | 518.547 |
| Molweight | 518.547 |
| MonoisotopicMass | 518.175419 |
| CLogP | 4.7385 |
| CLogS | -6.546 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 382.73 |
| Relative PSA | 0.18932 |
| PolarSurfaceArea | 83.44 |
| Druglikeness | 4.1798 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-(2-fluorophenyl)-2-[(4E)-4-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide | 2 - N-(2-fluorophenyl)-2-[(4E)-4-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide