N-[(5E)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Formula:C24H18N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(5E)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is a drug-like molecule.
| MolName | N-[(5E)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide |
| MolecularFormula | C24H18N2O3S2 |
| Smiles | O=C(c1ccccc1)NN(C(/C(/S1)=C\c2cc(OCc3ccccc3)ccc2)=O)C1=S |
| InChI | InChI=1S/C24H18N2O3S2/c27-22(19-11-5-2-6-12-19)25-26-23(28)21(31-24(26)30)15-18-10-7-13-20(14-18)29-16-17-8-3-1-4-9-17/h1-15H,16H2,(H,25,27) |
| InChIK | JOESXZDOLQLMBA-UHFFFAOYSA-N |
| TotalMolweight | 446.55 |
| Molweight | 446.55 |
| MonoisotopicMass | 446.075883 |
| CLogP | 2.8193 |
| CLogS | -6.025 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 335.21 |
| Relative PSA | 0.28812 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | 3.7341 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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