N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-benzothiophene-3-carboxamide
Formula:C20H13N2O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-benzothiophene-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-1-benzothiophene-3-carboxamide |
| MolecularFormula | C20H13N2O2ClS |
| Smiles | O=C(c1csc2c1cccc2)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 |
| InChI | InChI=1S/C20H13ClN2O2S/c21-14-5-3-4-13(10-14)18-9-8-15(25-18)11-22-23-20(24)17-12-26-19-7-2-1-6-16(17)19/h1-12H,(H,23,24) |
| InChIK | GELFDVOGNQFBFI-UHFFFAOYSA-N |
| TotalMolweight | 380.854 |
| Molweight | 380.854 |
| MonoisotopicMass | 380.038625 |
| CLogP | 5.5855 |
| CLogS | -7.156 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 282.4 |
| Relative PSA | 0.24958 |
| PolarSurfaceArea | 82.84 |
| Druglikeness | 7.4124 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| StereoCon |
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