(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
Formula:C25H26N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C25H26N3O2FS |
| Smiles | O=C(/C(/S1)=C\c(cc2)cc(F)c2N2CCCC2)N(CC2OCCC2)/C1=N/c1ccccc1 |
| InChI | InChI=1S/C25H26FN3O2S/c26-21-15-18(10-11-22(21)28-12-4-5-13-28)16-23-24(30)29(17-20-9-6-14-31-20)25(32-23)27-19-7-2-1-3-8-19/h1-3,7-8,10-11,15-16,20H,4-6,9,12-14,17H2/t20-/m1/s1 |
| InChIK | MKWBKTNNYMUMAJ-HXUWFJFHSA-N |
| TotalMolweight | 451.564 |
| Molweight | 451.564 |
| MonoisotopicMass | 451.172975 |
| CLogP | 4.0744 |
| CLogS | -5.726 |
| H Acceptors | 5 |
| TotalSurfaceArea | 334.97 |
| Relative PSA | 0.17655 |
| PolarSurfaceArea | 70.44 |
| Druglikeness | 3.0064 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
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1 - (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
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