(5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
Formula:C20H12N2O2Cl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C20H12N2O2Cl2S |
| Smiles | O=C(/C(/S/C1=N\c(cc2)ccc2Cl)=C/c2ccco2)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C20H12Cl2N2O2S/c21-13-3-7-15(8-4-13)23-20-24(16-9-5-14(22)6-10-16)19(25)18(27-20)12-17-2-1-11-26-17/h1-12H |
| InChIK | OGXRUXBLGGGNBV-UHFFFAOYSA-N |
| TotalMolweight | 415.299 |
| Molweight | 415.299 |
| MonoisotopicMass | 413.999652 |
| CLogP | 5.0787 |
| CLogS | -7.004 |
| H Acceptors | 4 |
| TotalSurfaceArea | 293.03 |
| Relative PSA | 0.20373 |
| PolarSurfaceArea | 71.11 |
| Druglikeness | 3.1482 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one | 2 - (5Z)-3-(4-chlorophenyl)-2-(4-chlorophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off