(5E)-3-benzoyl-5-benzylidene-2-sulfanylideneimidazolidin-4-one
Formula:C17H12N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-benzoyl-5-benzylidene-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-benzoyl-5-benzylidene-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C17H12N2O2S |
| Smiles | O=C(c1ccccc1)N(C(/C(/N1)=C\c2ccccc2)=O)C1=S |
| InChI | InChI=1S/C17H12N2O2S/c20-15(13-9-5-2-6-10-13)19-16(21)14(18-17(19)22)11-12-7-3-1-4-8-12/h1-11H,(H,18,22) |
| InChIK | QGEFLPAGQLANGH-UHFFFAOYSA-N |
| TotalMolweight | 308.36 |
| Molweight | 308.36 |
| MonoisotopicMass | 308.061948 |
| CLogP | 2.9822 |
| CLogS | -3.91 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 234.2 |
| Relative PSA | 0.295 |
| PolarSurfaceArea | 81.5 |
| Druglikeness | 2.7197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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