(2Z)-N-(4-chlorophenyl)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
Formula:C25H17N3O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-N-(4-chlorophenyl)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide is not a drug-like molecule.
| MolName | (2Z)-N-(4-chlorophenyl)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide |
| MolecularFormula | C25H17N3O2Cl2S |
| Smiles | N#C/C(/C(Nc(cc1)ccc1Cl)=O)=C(\N1c2ccccc2)/SC(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C25H17Cl2N3O2S/c26-17-8-6-16(7-9-17)14-22-24(32)30(20-4-2-1-3-5-20)25(33-22)21(15-28)23(31)29-19-12-10-18(27)11-13-19/h1-13,22H,14H2,(H,29,31)/t22-/m1/s1 |
| InChIK | VDIRWHHKAVXNED-JOCHJYFZSA-N |
| TotalMolweight | 494.401 |
| Molweight | 494.401 |
| MonoisotopicMass | 493.041851 |
| CLogP | 5.9271 |
| CLogS | -7.286 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 355.76 |
| Relative PSA | 0.20278 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 1.2571 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-N-(4-chlorophenyl)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide | 2 - (2Z)-N-(4-chlorophenyl)-2-[5-[(4-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off