(5E)-5-phenacylidene-3-phenyl-2-sulfanylideneimidazolidin-4-one
Formula:C17H12N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-phenacylidene-3-phenyl-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-phenacylidene-3-phenyl-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C17H12N2O2S |
| Smiles | O=C(/C=C(\C(N1c2ccccc2)=O)/NC1=S)c1ccccc1 |
| InChI | InChI=1S/C17H12N2O2S/c20-15(12-7-3-1-4-8-12)11-14-16(21)19(17(22)18-14)13-9-5-2-6-10-13/h1-11H,(H,18,22) |
| InChIK | OMFJZCFZTVVTQS-UHFFFAOYSA-N |
| TotalMolweight | 308.36 |
| Molweight | 308.36 |
| MonoisotopicMass | 308.061948 |
| CLogP | 2.4141 |
| CLogS | -4.391 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 234.2 |
| Relative PSA | 0.295 |
| PolarSurfaceArea | 81.5 |
| Druglikeness | 3.4899 |
| 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 | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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