| MolName | 2-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide |
| MolecularFormula | C15H15N3O2S2 |
| Smiles | O=C(CSCC(N/N=C\c1cccs1)=O)Nc1ccccc1 |
| InChI | InChI=1S/C15H15N3O2S2/c19-14(17-12-5-2-1-3-6-12)10-21-11-15(20)18-16-9-13-7-4-8-22-13/h1-9H,10-11H2,(H,17,19)(H,18,20) |
| InChIK | PTHXBTZWCOEMOS-UHFFFAOYSA-N |
| TotalMolweight | 333.435 |
| Molweight | 333.435 |
| MonoisotopicMass | 333.060567 |
| CLogP | 2.6567 |
| CLogS | -4.142 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 257.15 |
| Relative PSA | 0.3825 |
| PolarSurfaceArea | 124.1 |
| Druglikeness | 6.4339 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide | 2 - 2-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]sulfanyl-N-phenylacetamide