(2Z)-N-benzyl-2-[3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
Formula:C26H19N3O2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-N-benzyl-2-[3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide is not a drug-like molecule.
| MolName | (2Z)-N-benzyl-2-[3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide |
| MolecularFormula | C26H19N3O2BrClS |
| Smiles | N#C/C(/C(NCc1ccccc1)=O)=C(\N1c(cc2)ccc2Br)/SC(Cc(cc2)ccc2Cl)C1=O |
| InChI | InChI=1S/C26H19BrClN3O2S/c27-19-8-12-21(13-9-19)31-25(33)23(14-17-6-10-20(28)11-7-17)34-26(31)22(15-29)24(32)30-16-18-4-2-1-3-5-18/h1-13,23H,14,16H2,(H,30,32)/t23-/m1/s1 |
| InChIK | GKARXHQCKRTHNM-HSZRJFAPSA-N |
| TotalMolweight | 552.879 |
| Molweight | 552.879 |
| MonoisotopicMass | 551.006985 |
| CLogP | 5.7557 |
| CLogS | -7.2 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 372.73 |
| Relative PSA | 0.19354 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | -0.176 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-N-benzyl-2-[3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide | 2 - (2Z)-N-benzyl-2-[3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
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