(5E)-3-benzyl-5-[[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C33H24N3O2FS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-benzyl-5-[[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-3-benzyl-5-[[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C33H24N3O2FS2 |
| Smiles | O=C(/C(/S1)=C\c2cn(-c3ccccc3)nc2-c2cc(OCc(cccc3)c3F)ccc2)N(Cc2ccccc2)C1=S |
| InChI | InChI=1S/C33H24FN3O2S2/c34-29-17-8-7-12-25(29)22-39-28-16-9-13-24(18-28)31-26(21-37(35-31)27-14-5-2-6-15-27)19-30-32(38)36(33(40)41-30)20-23-10-3-1-4-11-23/h1-19,21H,20,22H2 |
| InChIK | HDRPLTNHTHHGQQ-UHFFFAOYSA-N |
| TotalMolweight | 577.703 |
| Molweight | 577.703 |
| MonoisotopicMass | 577.129395 |
| CLogP | 5.1831 |
| CLogS | -7.629 |
| H Acceptors | 5 |
| TotalSurfaceArea | 433.59 |
| Relative PSA | 0.20738 |
| PolarSurfaceArea | 104.75 |
| Druglikeness | 4.3131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4878 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (5E)-3-benzyl-5-[[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-benzyl-5-[[3-[3-[(2-fluorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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