(2Z)-N-(4-bromophenyl)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
Formula:C25H17N3O2BrFS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-N-(4-bromophenyl)-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-(4-bromophenyl)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide |
| MolecularFormula | C25H17N3O2BrFS |
| Smiles | N#C/C(/C(Nc(cc1)ccc1Br)=O)=C(\N1c2ccccc2)/SC(Cc(cc2)ccc2F)C1=O |
| InChI | InChI=1S/C25H17BrFN3O2S/c26-17-8-12-19(13-9-17)29-23(31)21(15-28)25-30(20-4-2-1-3-5-20)24(32)22(33-25)14-16-6-10-18(27)11-7-16/h1-13,22H,14H2,(H,29,31)/t22-/m1/s1 |
| InChIK | PMZPNAMFKZDPFM-JOCHJYFZSA-N |
| TotalMolweight | 522.397 |
| Molweight | 522.397 |
| MonoisotopicMass | 521.020886 |
| CLogP | 5.5411 |
| CLogS | -6.962 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 349.9 |
| Relative PSA | 0.20617 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | -1.9177 |
| Mutagenic | none |
| Tumorigenic | high |
| 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-bromophenyl)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide | 2 - (2Z)-N-(4-bromophenyl)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
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