(2Z)-2-[3-(4-bromophenyl)-5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
Formula:C24H17N3O3BrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[3-(4-bromophenyl)-5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide is not a drug-like molecule.
| MolName | (2Z)-2-[3-(4-bromophenyl)-5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide |
| MolecularFormula | C24H17N3O3BrClS |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C(\N1c(cc2)ccc2Br)/SC(Cc(cccc2)c2Cl)C1=O |
| InChI | InChI=1S/C24H17BrClN3O3S/c25-16-7-9-17(10-8-16)29-23(31)21(12-15-4-1-2-6-20(15)26)33-24(29)19(13-27)22(30)28-14-18-5-3-11-32-18/h1-11,21H,12,14H2,(H,28,30)/t21-/m1/s1 |
| InChIK | NXWIXJIESNDKCI-OAQYLSRUSA-N |
| TotalMolweight | 542.84 |
| Molweight | 542.84 |
| MonoisotopicMass | 540.98625 |
| CLogP | 4.9444 |
| CLogS | -6.882 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 362.42 |
| Relative PSA | 0.23798 |
| PolarSurfaceArea | 111.64 |
| Druglikeness | -0.18443 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-[3-(4-bromophenyl)-5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide | 2 - (2Z)-2-[3-(4-bromophenyl)-5-[(2-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
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