N-[(Z)-benzylideneamino]-3-[(4-fluorophenyl)methoxy]thiophene-2-carboxamide
Formula:C19H15N2O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-3-[(4-fluorophenyl)methoxy]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-[(4-fluorophenyl)methoxy]thiophene-2-carboxamide |
| MolecularFormula | C19H15N2O2FS |
| Smiles | O=C(c(scc1)c1OCc(cc1)ccc1F)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C19H15FN2O2S/c20-16-8-6-15(7-9-16)13-24-17-10-11-25-18(17)19(23)22-21-12-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23) |
| InChIK | PNYKHKNJXGGTBA-UHFFFAOYSA-N |
| TotalMolweight | 354.404 |
| Molweight | 354.404 |
| MonoisotopicMass | 354.083826 |
| CLogP | 4.5171 |
| CLogS | -5.386 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 272.8 |
| Relative PSA | 0.24329 |
| PolarSurfaceArea | 78.93 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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