(5E)-5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylidene-3-(thiomorpholin-4-ylmethyl)imidazolidin-4-one
Formula:C18H17N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylidene-3-(thiomorpholin-4-ylmethyl)imidazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylidene-3-(thiomorpholin-4-ylmethyl)imidazolidin-4-one |
| MolecularFormula | C18H17N3O3S2 |
| Smiles | O=C(/C(/N1)=C\C2=COc(cccc3)c3C2=O)N(CN2CCSCC2)C1=S |
| InChI | InChI=1S/C18H17N3O3S2/c22-16-12(10-24-15-4-2-1-3-13(15)16)9-14-17(23)21(18(25)19-14)11-20-5-7-26-8-6-20/h1-4,9-10H,5-8,11H2,(H,19,25) |
| InChIK | BVTXJENAHWBHJP-UHFFFAOYSA-N |
| TotalMolweight | 387.483 |
| Molweight | 387.483 |
| MonoisotopicMass | 387.071132 |
| CLogP | 1.3325 |
| CLogS | -3.733 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 278.74 |
| Relative PSA | 0.35922 |
| PolarSurfaceArea | 119.27 |
| Druglikeness | 5.13 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; thio-amide/urea |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylidene-3-(thiomorpholin-4-ylmethyl)imidazolidin-4-one | 2 - (5E)-5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylidene-3-(thiomorpholin-4-ylmethyl)imidazolidin-4-one
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