(2Z)-2-[3-(4-bromophenyl)-5-[(3-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
Formula:C19H13N3O2BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[3-(4-bromophenyl)-5-[(3-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide is a drug-like molecule.
| MolName | (2Z)-2-[3-(4-bromophenyl)-5-[(3-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide |
| MolecularFormula | C19H13N3O2BrClS |
| Smiles | NC(/C(/C#N)=C(/N1c(cc2)ccc2Br)\SC(Cc2cc(Cl)ccc2)C1=O)=O |
| InChI | InChI=1S/C19H13BrClN3O2S/c20-12-4-6-14(7-5-12)24-18(26)16(9-11-2-1-3-13(21)8-11)27-19(24)15(10-22)17(23)25/h1-8,16H,9H2,(H2,23,25)/t16-/m1/s1 |
| InChIK | MNWIEBHWUGVUTQ-MRXNPFEDSA-N |
| TotalMolweight | 462.754 |
| Molweight | 462.754 |
| MonoisotopicMass | 460.960035 |
| CLogP | 3.9861 |
| CLogS | -5.961 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.27 |
| Relative PSA | 0.25635 |
| PolarSurfaceArea | 112.49 |
| Druglikeness | -0.54767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-[3-(4-bromophenyl)-5-[(3-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide | 2 - (2Z)-2-[3-(4-bromophenyl)-5-[(3-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
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