(2Z)-N-benzyl-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
Formula:C26H18N3O2Cl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-N-benzyl-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is not a drug-like molecule.
| MolName | (2Z)-N-benzyl-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide |
| MolecularFormula | C26H18N3O2Cl2FS |
| Smiles | N#C/C(/C(NCc1ccccc1)=O)=C(\N1c(cc2)ccc2F)/SC(Cc(cc2)cc(Cl)c2Cl)C1=O |
| InChI | InChI=1S/C26H18Cl2FN3O2S/c27-21-11-6-17(12-22(21)28)13-23-25(34)32(19-9-7-18(29)8-10-19)26(35-23)20(14-30)24(33)31-15-16-4-2-1-3-5-16/h1-12,23H,13,15H2,(H,31,33)/t23-/m0/s1 |
| InChIK | ZNOWBQSAGQMQFQ-QHCPKHFHSA-N |
| TotalMolweight | 526.418 |
| Molweight | 526.418 |
| MonoisotopicMass | 525.048079 |
| CLogP | 5.7373 |
| CLogS | -7.416 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 375.87 |
| Relative PSA | 0.19193 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 0.274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-N-benzyl-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide | 2 - (2Z)-N-benzyl-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
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