(5E)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
Formula:C21H15N3O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C21H15N3O2BrCl |
| Smiles | O=C(/C(/N1)=C\c2cccn2-c2cccc(Br)c2)N(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C21H15BrClN3O2/c22-15-3-1-4-17(11-15)25-10-2-5-18(25)12-19-20(27)26(21(28)24-19)13-14-6-8-16(23)9-7-14/h1-12H,13H2,(H,24,28) |
| InChIK | ZVMKYPWJFGSVIP-UHFFFAOYSA-N |
| TotalMolweight | 456.726 |
| Molweight | 456.726 |
| MonoisotopicMass | 455.003615 |
| CLogP | 4.1094 |
| CLogS | -7.604 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 298.26 |
| Relative PSA | 0.1608 |
| PolarSurfaceArea | 54.34 |
| Druglikeness | 3.1715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5E)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione | 2 - (5E)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
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