(2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-naphthalen-1-ylacetamide
Formula:C29H20N3O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | (2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-naphthalen-1-ylacetamide |
| MolecularFormula | C29H20N3O2ClS |
| Smiles | N#C/C(/C(Nc1cccc2ccccc12)=O)=C(\N1c2ccccc2)/SC(Cc(cccc2)c2Cl)C1=O |
| InChI | InChI=1S/C29H20ClN3O2S/c30-24-15-7-5-10-20(24)17-26-28(35)33(21-12-2-1-3-13-21)29(36-26)23(18-31)27(34)32-25-16-8-11-19-9-4-6-14-22(19)25/h1-16,26H,17H2,(H,32,34)/t26-/m0/s1 |
| InChIK | FDZIQSNIVORCHG-SANMLTNESA-N |
| TotalMolweight | 510.016 |
| Molweight | 510.016 |
| MonoisotopicMass | 509.096474 |
| CLogP | 6.5155 |
| CLogS | -8.156 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 374.94 |
| Relative PSA | 0.1924 |
| 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 | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-naphthalen-1-ylacetamide | 2 - (2Z)-2-[5-[(2-chlorophenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-naphthalen-1-ylacetamide
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