(2Z)-2-[5-benzyl-3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-phenylethyl)acetamide
Formula:C27H22N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[5-benzyl-3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-phenylethyl)acetamide is not a drug-like molecule.
| MolName | (2Z)-2-[5-benzyl-3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-phenylethyl)acetamide |
| MolecularFormula | C27H22N3O2BrS |
| Smiles | N#C/C(/C(NCCc1ccccc1)=O)=C(\N1c(cc2)ccc2Br)/SC(Cc2ccccc2)C1=O |
| InChI | InChI=1S/C27H22BrN3O2S/c28-21-11-13-22(14-12-21)31-26(33)24(17-20-9-5-2-6-10-20)34-27(31)23(18-29)25(32)30-16-15-19-7-3-1-4-8-19/h1-14,24H,15-17H2,(H,30,32)/t24-/m1/s1 |
| InChIK | NBLAPFZYMGEWCK-XMMPIXPASA-N |
| TotalMolweight | 532.461 |
| Molweight | 532.461 |
| MonoisotopicMass | 531.061608 |
| CLogP | 5.5798 |
| CLogS | -6.576 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 371.07 |
| Relative PSA | 0.19441 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | -0.077716 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-[5-benzyl-3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-phenylethyl)acetamide | 2 - (2Z)-2-[5-benzyl-3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-phenylethyl)acetamide
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