(2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
Formula:C25H17N3O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is not a drug-like molecule.
| MolName | (2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide |
| MolecularFormula | C25H17N3O2ClFS |
| Smiles | N#C/C(/C(Nc1cccc(Cl)c1)=O)=C(\N1c2ccccc2)/SC(Cc(cc2)ccc2F)C1=O |
| InChI | InChI=1S/C25H17ClFN3O2S/c26-17-5-4-6-19(14-17)29-23(31)21(15-28)25-30(20-7-2-1-3-8-20)24(32)22(33-25)13-16-9-11-18(27)12-10-16/h1-12,14,22H,13H2,(H,29,31)/t22-/m1/s1 |
| InChIK | ADQZLMNLUYGBHE-JOCHJYFZSA-N |
| TotalMolweight | 477.946 |
| Molweight | 477.946 |
| MonoisotopicMass | 477.071402 |
| CLogP | 5.4219 |
| CLogS | -6.864 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 346.69 |
| Relative PSA | 0.20808 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | -0.082852 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.48485 |
| 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 | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide | 2 - (2Z)-N-(3-chlorophenyl)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off