(2Z)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-naphthalen-1-ylacetamide
Formula:C29H19N3O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | (2Z)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-naphthalen-1-ylacetamide |
| MolecularFormula | C29H19N3O2Cl2S |
| Smiles | N#C/C(/C(Nc1cccc2ccccc12)=O)=C(\N1c2ccccc2)/SC(Cc(cc2)cc(Cl)c2Cl)C1=O |
| InChI | InChI=1S/C29H19Cl2N3O2S/c30-23-14-13-18(15-24(23)31)16-26-28(36)34(20-9-2-1-3-10-20)29(37-26)22(17-32)27(35)33-25-12-6-8-19-7-4-5-11-21(19)25/h1-15,26H,16H2,(H,33,35)/t26-/m0/s1 |
| InChIK | WBXKWOYQUXEBFR-SANMLTNESA-N |
| TotalMolweight | 544.461 |
| Molweight | 544.461 |
| MonoisotopicMass | 543.057501 |
| CLogP | 7.1215 |
| CLogS | -8.892 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 390.36 |
| Relative PSA | 0.1848 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 1.2571 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-naphthalen-1-ylacetamide | 2 - (2Z)-2-cyano-2-[5-[(3,4-dichlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-naphthalen-1-ylacetamide
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