(5Z)-5-[(4-bromophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
Formula:C17H12N2O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-5-[(4-bromophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(4-bromophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C17H12N2O2BrCl |
| Smiles | O=C(/C(/N1)=C/c(cc2)ccc2Br)N(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C17H12BrClN2O2/c18-13-5-1-11(2-6-13)9-15-16(22)21(17(23)20-15)10-12-3-7-14(19)8-4-12/h1-9H,10H2,(H,20,23) |
| InChIK | SMBQSDCSLTZFHL-UHFFFAOYSA-N |
| TotalMolweight | 391.651 |
| Molweight | 391.651 |
| MonoisotopicMass | 389.977066 |
| CLogP | 3.8705 |
| CLogS | -5.267 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.3 |
| Relative PSA | 0.16482 |
| PolarSurfaceArea | 49.41 |
| Druglikeness | 3.1117 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(4-bromophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione | 2 - (5Z)-5-[(4-bromophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
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