N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C21H17N2O3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C21H17N2O3F3S |
| Smiles | O=C(Cc1cc(C(F)(F)F)ccc1)NCCN(C(/C(/S1)=C/c2ccccc2)=O)C1=O |
| InChI | InChI=1S/C21H17F3N2O3S/c22-21(23,24)16-8-4-7-15(11-16)13-18(27)25-9-10-26-19(28)17(30-20(26)29)12-14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2,(H,25,27) |
| InChIK | MLQQFIZXUKVHTP-UHFFFAOYSA-N |
| TotalMolweight | 434.437 |
| Molweight | 434.437 |
| MonoisotopicMass | 434.091197 |
| CLogP | 3.5225 |
| CLogS | -4.767 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 307.47 |
| Relative PSA | 0.23293 |
| PolarSurfaceArea | 91.78 |
| Druglikeness | -1.3475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide | 2 - N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off