N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetamide
Formula:C20H17N4O3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetamide is a drug-like molecule.
| MolName | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetamide |
| MolecularFormula | C20H17N4O3F3S |
| Smiles | N#Cc1c(NC(CO/N=C\C(Nc2cc(C(F)(F)F)ccc2)=O)=O)sc2c1CCCC2 |
| InChI | InChI=1S/C20H17F3N4O3S/c21-20(22,23)12-4-3-5-13(8-12)26-17(28)10-25-30-11-18(29)27-19-15(9-24)14-6-1-2-7-16(14)31-19/h3-5,8,10H,1-2,6-7,11H2,(H,26,28)(H,27,29) |
| InChIK | NCMQAEOTYFJRSP-UHFFFAOYSA-N |
| TotalMolweight | 450.44 |
| Molweight | 450.44 |
| MonoisotopicMass | 450.097345 |
| CLogP | 3.7383 |
| CLogS | -6.122 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 328.61 |
| Relative PSA | 0.31779 |
| PolarSurfaceArea | 131.82 |
| Druglikeness | -12.503 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetamide | 2 - N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(Z)-[2-oxo-2-[3-(trifluoromethyl)anilino]ethylidene]amino]oxyacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off