(2Z)-2-cyano-2-[3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
Formula:C27H21N3O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-cyano-2-[3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide is not a drug-like molecule.
| MolName | (2Z)-2-cyano-2-[3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide |
| MolecularFormula | C27H21N3O2F2S |
| Smiles | N#C/C(/C(NCCc1ccccc1)=O)=C(\N1c(cc2)ccc2F)/SC(Cc(cc2)ccc2F)C1=O |
| InChI | InChI=1S/C27H21F2N3O2S/c28-20-8-6-19(7-9-20)16-24-26(34)32(22-12-10-21(29)11-13-22)27(35-24)23(17-30)25(33)31-15-14-18-4-2-1-3-5-18/h1-13,24H,14-16H2,(H,31,33)/t24-/m0/s1 |
| InChIK | PSCPCJIHRJWPLW-DEOSSOPVSA-N |
| TotalMolweight | 489.545 |
| Molweight | 489.545 |
| MonoisotopicMass | 489.132253 |
| CLogP | 5.0562 |
| CLogS | -6.37 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 365.14 |
| Relative PSA | 0.19757 |
| PolarSurfaceArea | 98.5 |
| Druglikeness | 0.37228 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-cyano-2-[3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide | 2 - (2Z)-2-cyano-2-[3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off