(5Z)-3-benzyl-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
Formula:C15H11N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-benzyl-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-benzyl-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C15H11N2O2ClS |
| Smiles | O=C(/C(/N1)=C/c(s2)ccc2Cl)N(Cc2ccccc2)C1=O |
| InChI | InChI=1S/C15H11ClN2O2S/c16-13-7-6-11(21-13)8-12-14(19)18(15(20)17-12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,20) |
| InChIK | JBLAMFVZBWSIPQ-UHFFFAOYSA-N |
| TotalMolweight | 318.783 |
| Molweight | 318.783 |
| MonoisotopicMass | 318.022975 |
| CLogP | 3.2166 |
| CLogS | -4.46 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 226.61 |
| Relative PSA | 0.27117 |
| PolarSurfaceArea | 77.65 |
| Druglikeness | 5.897 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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)-3-benzyl-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione | 2 - (5Z)-3-benzyl-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
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