(3E)-3-[[(4E)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione
Formula:C20H12N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[[(4E)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione is a drug-like molecule.
| MolName | (3E)-3-[[(4E)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione |
| MolecularFormula | C20H12N2O4S |
| Smiles | O=C(/C(/N1)=C\c2ccccc2)N(/C=C(\C(c(cccc2)c2O2)=O)/C2=O)C1=S |
| InChI | InChI=1S/C20H12N2O4S/c23-17-13-8-4-5-9-16(13)26-19(25)14(17)11-22-18(24)15(21-20(22)27)10-12-6-2-1-3-7-12/h1-11H,(H,21,27) |
| InChIK | LAUYHDXDBVCSSV-UHFFFAOYSA-N |
| TotalMolweight | 376.391 |
| Molweight | 376.391 |
| MonoisotopicMass | 376.051778 |
| CLogP | 2.2034 |
| CLogS | -4.538 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 273.16 |
| Relative PSA | 0.33727 |
| PolarSurfaceArea | 107.8 |
| Druglikeness | 1.0118 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; thio-amide/urea |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (3E)-3-[[(4E)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione | 2 - (3E)-3-[[(4E)-4-benzylidene-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione
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