(2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(3-chlorophenyl)-2-cyanoacetamide
Formula:C25H17N3O2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(3-chlorophenyl)-2-cyanoacetamide is not a drug-like molecule.
| MolName | (2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(3-chlorophenyl)-2-cyanoacetamide |
| MolecularFormula | C25H17N3O2BrClS |
| Smiles | N#C/C(/C(Nc1cc(Cl)ccc1)=O)=C(\N1c2ccccc2)/SC(Cc(cc2)ccc2Br)C1=O |
| InChI | InChI=1S/C25H17BrClN3O2S/c26-17-11-9-16(10-12-17)13-22-24(32)30(20-7-2-1-3-8-20)25(33-22)21(15-28)23(31)29-19-6-4-5-18(27)14-19/h1-12,14,22H,13H2,(H,29,31)/t22-/m0/s1 |
| InChIK | FKMVNBCWJOQAKJ-QFIPXVFZSA-N |
| TotalMolweight | 538.852 |
| Molweight | 538.852 |
| MonoisotopicMass | 536.991335 |
| CLogP | 6.0463 |
| CLogS | -7.384 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 358.97 |
| Relative PSA | 0.20096 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | -0.53285 |
| 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)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(3-chlorophenyl)-2-cyanoacetamide | 2 - (2Z)-2-[5-[(4-bromophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(3-chlorophenyl)-2-cyanoacetamide
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