(5Z)-3-[(4-bromophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione
Formula:C19H18N3O4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-3-[(4-bromophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-[(4-bromophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C19H18N3O4Br |
| Smiles | O=C(/C(/N1)=C/c2ccc(N3CCOCC3)o2)N(Cc(cc2)ccc2Br)C1=O |
| InChI | InChI=1S/C19H18BrN3O4/c20-14-3-1-13(2-4-14)12-23-18(24)16(21-19(23)25)11-15-5-6-17(27-15)22-7-9-26-10-8-22/h1-6,11H,7-10,12H2,(H,21,25) |
| InChIK | IOWJQRGPNVETRG-UHFFFAOYSA-N |
| TotalMolweight | 432.273 |
| Molweight | 432.273 |
| MonoisotopicMass | 431.048068 |
| CLogP | 2.4736 |
| CLogS | -4.841 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 285.41 |
| Relative PSA | 0.24088 |
| PolarSurfaceArea | 75.02 |
| Druglikeness | 3.3089 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-[(4-bromophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-[(4-bromophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]imidazolidine-2,4-dione
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