3-[(4-fluorophenyl)methoxy]-N-[(Z)-pyridin-4-ylmethylideneamino]thiophene-2-carboxamide
Formula:C18H14N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(4-fluorophenyl)methoxy]-N-[(Z)-pyridin-4-ylmethylideneamino]thiophene-2-carboxamide is a drug-like molecule.
| MolName | 3-[(4-fluorophenyl)methoxy]-N-[(Z)-pyridin-4-ylmethylideneamino]thiophene-2-carboxamide |
| MolecularFormula | C18H14N3O2FS |
| Smiles | O=C(c(scc1)c1OCc(cc1)ccc1F)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C18H14FN3O2S/c19-15-3-1-14(2-4-15)12-24-16-7-10-25-17(16)18(23)22-21-11-13-5-8-20-9-6-13/h1-11H,12H2,(H,22,23) |
| InChIK | LAPDOTPPPDQRQY-UHFFFAOYSA-N |
| TotalMolweight | 355.392 |
| Molweight | 355.392 |
| MonoisotopicMass | 355.079075 |
| CLogP | 3.5162 |
| CLogS | -4.591 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 271.56 |
| Relative PSA | 0.2848 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 3.9159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(4-fluorophenyl)methoxy]-N-[(Z)-pyridin-4-ylmethylideneamino]thiophene-2-carboxamide | 2 - 3-[(4-fluorophenyl)methoxy]-N-[(Z)-pyridin-4-ylmethylideneamino]thiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off