(5Z)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C17H12N4OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C17H12N4OS2 |
| Smiles | O=C(/C(/N1)=C/c2cn(-c3ccccc3)nc2-c2cccs2)NC1=S |
| InChI | InChI=1S/C17H12N4OS2/c22-16-13(18-17(23)19-16)9-11-10-21(12-5-2-1-3-6-12)20-15(11)14-7-4-8-24-14/h1-10H,(H2,18,19,22,23) |
| InChIK | GCXSSGQZTPQKBK-UHFFFAOYSA-N |
| TotalMolweight | 352.441 |
| Molweight | 352.441 |
| MonoisotopicMass | 352.045251 |
| CLogP | 2.1713 |
| CLogS | -4.254 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 261.27 |
| Relative PSA | 0.39101 |
| PolarSurfaceArea | 119.28 |
| Druglikeness | 5.9284 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5Z)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
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