| MolName | 2-[3-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]acetamide |
| MolecularFormula | C21H18N4O3 |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C(/C(N2Cc3ccccc3)=O)\NC2=O)c1)=O |
| InChI | InChI=1S/C21H18N4O3/c22-19(26)13-24-12-15(16-8-4-5-9-18(16)24)10-17-20(27)25(21(28)23-17)11-14-6-2-1-3-7-14/h1-10,12H,11,13H2,(H2,22,26)(H,23,28) |
| InChIK | QYMYEINXAVDRLO-UHFFFAOYSA-N |
| TotalMolweight | 374.399 |
| Molweight | 374.399 |
| MonoisotopicMass | 374.137891 |
| CLogP | 1.2934 |
| CLogS | -3.441 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 279.08 |
| Relative PSA | 0.27329 |
| PolarSurfaceArea | 97.43 |
| Druglikeness | 6.1159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]acetamide