(5Z)-3-phenyl-5-(pyridin-4-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
Formula:C15H11N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-phenyl-5-(pyridin-4-ylmethylidene)-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-phenyl-5-(pyridin-4-ylmethylidene)-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C15H11N3OS |
| Smiles | O=C(/C(/NC1=S)=C/c2ccncc2)N1c1ccccc1 |
| InChI | InChI=1S/C15H11N3OS/c19-14-13(10-11-6-8-16-9-7-11)17-15(20)18(14)12-4-2-1-3-5-12/h1-10H,(H,17,20) |
| InChIK | JEILLSWVHCLUMS-UHFFFAOYSA-N |
| TotalMolweight | 281.338 |
| Molweight | 281.338 |
| MonoisotopicMass | 281.062282 |
| CLogP | 1.976 |
| CLogS | -3.508 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 215.21 |
| Relative PSA | 0.31142 |
| PolarSurfaceArea | 77.32 |
| Druglikeness | 2.7197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| 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 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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