(4E)-4-[1,3-benzothiazol-2-ylsulfanyl(phenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
Formula:C23H14N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[1,3-benzothiazol-2-ylsulfanyl(phenyl)methylidene]-2-phenyl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4E)-4-[1,3-benzothiazol-2-ylsulfanyl(phenyl)methylidene]-2-phenyl-1,3-oxazol-5-one |
| MolecularFormula | C23H14N2O2S2 |
| Smiles | O=C1OC(c2ccccc2)=N/C1=C(\c1ccccc1)/Sc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C23H14N2O2S2/c26-22-19(25-21(27-22)16-11-5-2-6-12-16)20(15-9-3-1-4-10-15)29-23-24-17-13-7-8-14-18(17)28-23/h1-14H |
| InChIK | YPJSINXLYOTBRC-UHFFFAOYSA-N |
| TotalMolweight | 414.508 |
| Molweight | 414.508 |
| MonoisotopicMass | 414.049668 |
| CLogP | 4.7997 |
| CLogS | -5.215 |
| H Acceptors | 4 |
| TotalSurfaceArea | 299.71 |
| Relative PSA | 0.27817 |
| PolarSurfaceArea | 105.09 |
| Druglikeness | 1.7767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4E)-4-[1,3-benzothiazol-2-ylsulfanyl(phenyl)methylidene]-2-phenyl-1,3-oxazol-5-one | 2 - (4E)-4-[1,3-benzothiazol-2-ylsulfanyl(phenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
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