| MolName | 2-[3-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]-N-phenylacetamide |
| MolecularFormula | C27H21N4O3F |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=C(\C(N2Cc(cccc3)c3F)=O)/NC2=O)c1)Nc1ccccc1 |
| InChI | InChI=1S/C27H21FN4O3/c28-22-12-6-4-8-18(22)16-32-26(34)23(30-27(32)35)14-19-15-31(24-13-7-5-11-21(19)24)17-25(33)29-20-9-2-1-3-10-20/h1-15H,16-17H2,(H,29,33)(H,30,35) |
| InChIK | HONGGXXAZURIEU-UHFFFAOYSA-N |
| TotalMolweight | 468.487 |
| Molweight | 468.487 |
| MonoisotopicMass | 468.159769 |
| CLogP | 3.4544 |
| CLogS | -5.178 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 348.13 |
| Relative PSA | 0.20814 |
| PolarSurfaceArea | 83.44 |
| Druglikeness | 4.1798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[3-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]-N-phenylacetamide | 2 - 2-[3-[(E)-[1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]-N-phenylacetamide