(2Z)-N-benzyl-2-cyano-2-[3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
Formula:C26H19N3O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-N-benzyl-2-cyano-2-[3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide is a drug-like molecule.
| MolName | (2Z)-N-benzyl-2-cyano-2-[3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide |
| MolecularFormula | C26H19N3O2F2S |
| Smiles | N#C/C(/C(NCc1ccccc1)=O)=C(\N1c(cc2)ccc2F)/SC(Cc(cc2)ccc2F)C1=O |
| InChI | InChI=1S/C26H19F2N3O2S/c27-19-8-6-17(7-9-19)14-23-25(33)31(21-12-10-20(28)11-13-21)26(34-23)22(15-29)24(32)30-16-18-4-2-1-3-5-18/h1-13,23H,14,16H2,(H,30,32)/t23-/m0/s1 |
| InChIK | DUZCEAOYFFRVIR-QHCPKHFHSA-N |
| TotalMolweight | 475.518 |
| Molweight | 475.518 |
| MonoisotopicMass | 475.116603 |
| CLogP | 4.6261 |
| CLogS | -6.258 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 351.38 |
| Relative PSA | 0.2053 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 0.22811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-N-benzyl-2-cyano-2-[3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide | 2 - (2Z)-N-benzyl-2-cyano-2-[3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
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