3-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
Formula:C23H17N2O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C23H17N2O2ClS |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C23H17ClN2O2S/c24-21-19-8-4-5-9-20(19)29-22(21)23(27)26-25-14-16-10-12-18(13-11-16)28-15-17-6-2-1-3-7-17/h1-14H,15H2,(H,26,27) |
| InChIK | WFWBFAXNQSBQJV-UHFFFAOYSA-N |
| TotalMolweight | 420.919 |
| Molweight | 420.919 |
| MonoisotopicMass | 420.069925 |
| CLogP | 6.0769 |
| CLogS | -7.147 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 316.47 |
| Relative PSA | 0.20972 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 5.3297 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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