(2Z)-N-(4-bromophenyl)-2-[5-[(3-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
Formula:C25H17N3O2BrClS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-N-(4-bromophenyl)-2-[5-[(3-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide is not a drug-like molecule.
| MolName | (2Z)-N-(4-bromophenyl)-2-[5-[(3-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide |
| MolecularFormula | C25H17N3O2BrClS |
| Smiles | N#C/C(/C(Nc(cc1)ccc1Br)=O)=C(\N1c2ccccc2)/SC(Cc2cc(Cl)ccc2)C1=O |
| InChI | InChI=1S/C25H17BrClN3O2S/c26-17-9-11-19(12-10-17)29-23(31)21(15-28)25-30(20-7-2-1-3-8-20)24(32)22(33-25)14-16-5-4-6-18(27)13-16/h1-13,22H,14H2,(H,29,31)/t22-/m1/s1 |
| InChIK | BVAKQILYKFWWLP-JOCHJYFZSA-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 | high |
| Reproductive Effective | high |
| Irritant | none |
| 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-(4-bromophenyl)-2-[5-[(3-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide | 2 - (2Z)-N-(4-bromophenyl)-2-[5-[(3-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
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