3-chloro-N-[(Z)-(3-chloro-1-benzothiophen-2-yl)methylideneamino]-1-benzothiophene-2-carboxamide
Formula:C18H10N2OCl2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(3-chloro-1-benzothiophen-2-yl)methylideneamino]-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(3-chloro-1-benzothiophen-2-yl)methylideneamino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C18H10N2OCl2S2 |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)N/N=C\c(sc1c2cccc1)c2Cl |
| InChI | InChI=1S/C18H10Cl2N2OS2/c19-15-10-5-1-3-7-12(10)24-14(15)9-21-22-18(23)17-16(20)11-6-2-4-8-13(11)25-17/h1-9H,(H,22,23) |
| InChIK | KQUDCIAAAAYALC-UHFFFAOYSA-N |
| TotalMolweight | 405.328 |
| Molweight | 405.328 |
| MonoisotopicMass | 403.961157 |
| CLogP | 6.256 |
| CLogS | -7.891 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 278.91 |
| Relative PSA | 0.27511 |
| PolarSurfaceArea | 97.94 |
| Druglikeness | 5.6013 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| StereoCon |
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