(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
Formula:C17H10N2O4BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione |
| MolecularFormula | C17H10N2O4BrCl |
| Smiles | O=C(/C(/NC1=O)=C/c(cc2OCOc2c2)c2Br)N1c1cc(Cl)ccc1 |
| InChI | InChI=1S/C17H10BrClN2O4/c18-12-7-15-14(24-8-25-15)5-9(12)4-13-16(22)21(17(23)20-13)11-3-1-2-10(19)6-11/h1-7H,8H2,(H,20,23) |
| InChIK | DNWYFLBDWLTPKW-UHFFFAOYSA-N |
| TotalMolweight | 421.633 |
| Molweight | 421.633 |
| MonoisotopicMass | 419.951246 |
| CLogP | 4.059 |
| CLogS | -6.5 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 255.8 |
| Relative PSA | 0.23882 |
| PolarSurfaceArea | 67.87 |
| Druglikeness | 1.9661 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione | 2 - (5Z)-5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
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