(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-phenyl-5-thiophen-2-ylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C24H16N3OFS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-phenyl-5-thiophen-2-ylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-phenyl-5-thiophen-2-ylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C24H16N3OFS3 |
| Smiles | O=C(/C(/S1)=C/c2cc(-c3cccs3)nn2-c2ccccc2)N(Cc(cc2)ccc2F)C1=S |
| InChI | InChI=1S/C24H16FN3OS3/c25-17-10-8-16(9-11-17)15-27-23(29)22(32-24(27)30)14-19-13-20(21-7-4-12-31-21)26-28(19)18-5-2-1-3-6-18/h1-14H,15H2 |
| InChIK | PXXKJFUJQJSGQS-UHFFFAOYSA-N |
| TotalMolweight | 477.607 |
| Molweight | 477.607 |
| MonoisotopicMass | 477.04395 |
| CLogP | 3.9125 |
| CLogS | -6.233 |
| H Acceptors | 4 |
| TotalSurfaceArea | 346.01 |
| Relative PSA | 0.28982 |
| PolarSurfaceArea | 123.76 |
| Druglikeness | 4.9307 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-phenyl-5-thiophen-2-ylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-phenyl-5-thiophen-2-ylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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