2-[(5E)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid
Formula:C25H18NO4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5E)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid is a drug-like molecule.
| MolName | 2-[(5E)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid |
| MolecularFormula | C25H18NO4ClS2 |
| Smiles | OC(C(c1ccccc1)N(C(/C(/S1)=C\c2cccc(OCc(cc3)ccc3Cl)c2)=O)C1=S)=O |
| InChI | InChI=1S/C25H18ClNO4S2/c26-19-11-9-16(10-12-19)15-31-20-8-4-5-17(13-20)14-21-23(28)27(25(32)33-21)22(24(29)30)18-6-2-1-3-7-18/h1-14,22H,15H2,(H,29,30)/t22-/m1/s1 |
| InChIK | VWEOZURNEMTWJL-JOCHJYFZSA-N |
| TotalMolweight | 496.006 |
| Molweight | 496.006 |
| MonoisotopicMass | 495.036576 |
| CLogP | 3.7797 |
| CLogS | -6.084 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 358.02 |
| Relative PSA | 0.27434 |
| PolarSurfaceArea | 124.23 |
| Druglikeness | 3.5465 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[(5E)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid | 2 - 2-[(5E)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid
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