(5Z)-3-(oxolan-2-ylmethyl)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C22H19N3O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(oxolan-2-ylmethyl)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(oxolan-2-ylmethyl)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C22H19N3O2S3 |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2cccs2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C22H19N3O2S3/c26-21-19(30-22(28)24(21)14-17-8-4-10-27-17)12-15-13-25(16-6-2-1-3-7-16)23-20(15)18-9-5-11-29-18/h1-3,5-7,9,11-13,17H,4,8,10,14H2/t17-/m1/s1 |
| InChIK | IIMIBDHAXBJHIW-QGZVFWFLSA-N |
| TotalMolweight | 453.61 |
| Molweight | 453.61 |
| MonoisotopicMass | 453.063937 |
| CLogP | 2.6394 |
| CLogS | -5.257 |
| H Acceptors | 5 |
| TotalSurfaceArea | 330.18 |
| Relative PSA | 0.334 |
| PolarSurfaceArea | 132.99 |
| Druglikeness | 4.8318 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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1 - (5Z)-3-(oxolan-2-ylmethyl)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(oxolan-2-ylmethyl)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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