(5Z)-5-[(4-bromothiophen-2-yl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
Formula:C15H10N2O2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-bromothiophen-2-yl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(4-bromothiophen-2-yl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione |
| MolecularFormula | C15H10N2O2BrClS |
| Smiles | O=C(/C(/N1)=C/c2cc(Br)cs2)N(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C15H10BrClN2O2S/c16-10-5-12(22-8-10)6-13-14(20)19(15(21)18-13)7-9-1-3-11(17)4-2-9/h1-6,8H,7H2,(H,18,21) |
| InChIK | AGWLCZZOGGNNPH-UHFFFAOYSA-N |
| TotalMolweight | 397.679 |
| Molweight | 397.679 |
| MonoisotopicMass | 395.933486 |
| CLogP | 3.7371 |
| CLogS | -5.277 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 245.24 |
| Relative PSA | 0.25057 |
| PolarSurfaceArea | 77.65 |
| Druglikeness | 0.4069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[(4-bromothiophen-2-yl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione | 2 - (5Z)-5-[(4-bromothiophen-2-yl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
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