(5Z)-3-phenyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one
Formula:C14H10N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-phenyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-phenyl-2-sulfanylidene-5-(thiophen-3-ylmethylidene)imidazolidin-4-one |
| MolecularFormula | C14H10N2OS2 |
| Smiles | O=C(/C(/NC1=S)=C/c2cscc2)N1c1ccccc1 |
| InChI | InChI=1S/C14H10N2OS2/c17-13-12(8-10-6-7-19-9-10)15-14(18)16(13)11-4-2-1-3-5-11/h1-9H,(H,15,18) |
| InChIK | AYBQEWWUCWERSR-UHFFFAOYSA-N |
| TotalMolweight | 286.378 |
| Molweight | 286.378 |
| MonoisotopicMass | 286.023453 |
| CLogP | 2.7613 |
| CLogS | -4.203 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 212.39 |
| Relative PSA | 0.35976 |
| PolarSurfaceArea | 92.67 |
| Druglikeness | 3.2415 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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