3,6-dichloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
Formula:C22H14N2O2Cl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3,6-dichloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | 3,6-dichloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C22H14N2O2Cl2S |
| Smiles | O=C(c(sc1c2ccc(Cl)c1)c2Cl)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C22H14Cl2N2O2S/c23-15-9-10-18-19(12-15)29-21(20(18)24)22(27)26-25-13-14-5-4-8-17(11-14)28-16-6-2-1-3-7-16/h1-13H,(H,26,27) |
| InChIK | UFMPZVOWICRQNX-UHFFFAOYSA-N |
| TotalMolweight | 441.337 |
| Molweight | 441.337 |
| MonoisotopicMass | 440.015302 |
| CLogP | 6.7304 |
| CLogS | -8.839 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 318.13 |
| Relative PSA | 0.20863 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 5.5326 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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