(5Z)-5-[(4-bromophenyl)methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H9NOBrFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-5-[(4-bromophenyl)methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-bromophenyl)methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H9NOBrFS2 |
| Smiles | O=C(/C(/SC1=S)=C/c(cc2)ccc2Br)N1c(cc1)ccc1F |
| InChI | InChI=1S/C16H9BrFNOS2/c17-11-3-1-10(2-4-11)9-14-15(20)19(16(21)22-14)13-7-5-12(18)6-8-13/h1-9H |
| InChIK | RXAJZIABVALWEQ-UHFFFAOYSA-N |
| TotalMolweight | 394.287 |
| Molweight | 394.287 |
| MonoisotopicMass | 392.929293 |
| CLogP | 3.7183 |
| CLogS | -6.131 |
| H Acceptors | 2 |
| TotalSurfaceArea | 247.46 |
| Relative PSA | 0.25087 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | -0.36304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[(4-bromophenyl)methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-bromophenyl)methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off