(2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
Formula:C27H20N3O2Cl2FS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide is not a drug-like molecule.
| MolName | (2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide |
| MolecularFormula | C27H20N3O2Cl2FS |
| Smiles | N#C/C(/C(NCCc1ccccc1)=O)=C(\N1c(cc2)ccc2F)/SC(Cc(cc(cc2)Cl)c2Cl)C1=O |
| InChI | InChI=1S/C27H20Cl2FN3O2S/c28-19-6-11-23(29)18(14-19)15-24-26(35)33(21-9-7-20(30)8-10-21)27(36-24)22(16-31)25(34)32-13-12-17-4-2-1-3-5-17/h1-11,14,24H,12-13,15H2,(H,32,34)/t24-/m0/s1 |
| InChIK | QWDLRHHCGAMRSQ-DEOSSOPVSA-N |
| TotalMolweight | 540.445 |
| Molweight | 540.445 |
| MonoisotopicMass | 539.063729 |
| CLogP | 6.1674 |
| CLogS | -7.528 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 389.63 |
| Relative PSA | 0.18515 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 0.41982 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide | 2 - (2Z)-2-cyano-2-[5-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
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