(2Z)-2-[3-(4-bromophenyl)-5-[(2,5-dichlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
Formula:C24H16N3O3BrCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-[3-(4-bromophenyl)-5-[(2,5-dichlorophenyl)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-[(2,5-dichlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide |
| MolecularFormula | C24H16N3O3BrCl2S |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C(\N1c(cc2)ccc2Br)/SC(Cc(cc(cc2)Cl)c2Cl)C1=O |
| InChI | InChI=1S/C24H16BrCl2N3O3S/c25-15-3-6-17(7-4-15)30-23(32)21(11-14-10-16(26)5-8-20(14)27)34-24(30)19(12-28)22(31)29-13-18-2-1-9-33-18/h1-10,21H,11,13H2,(H,29,31)/t21-/m1/s1 |
| InChIK | SOIORIDFEMAAPF-OAQYLSRUSA-N |
| TotalMolweight | 577.285 |
| Molweight | 577.285 |
| MonoisotopicMass | 574.947277 |
| CLogP | 5.5504 |
| CLogS | -7.618 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 377.84 |
| Relative PSA | 0.22827 |
| PolarSurfaceArea | 111.64 |
| Druglikeness | -0.18443 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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-[(2,5-dichlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide | 2 - (2Z)-2-[3-(4-bromophenyl)-5-[(2,5-dichlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(furan-2-ylmethyl)acetamide
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