N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Formula:C20H18N2O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| MolecularFormula | C20H18N2O2S |
| Smiles | O=C(c1csc2c1CCCC2)N/N=C\c1ccc(-c2ccccc2)o1 |
| InChI | InChI=1S/C20H18N2O2S/c23-20(17-13-25-19-9-5-4-8-16(17)19)22-21-12-15-10-11-18(24-15)14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9H2,(H,22,23) |
| InChIK | AXTWVVUPZDAFGR-UHFFFAOYSA-N |
| TotalMolweight | 350.441 |
| Molweight | 350.441 |
| MonoisotopicMass | 350.108898 |
| CLogP | 5.1639 |
| CLogS | -6.283 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.92 |
| Relative PSA | 0.2573 |
| PolarSurfaceArea | 82.84 |
| Druglikeness | 3.0925 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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