3-chloro-N-[(Z)-[cyclohexyl(phenyl)methylidene]amino]-1-benzothiophene-2-carboxamide
Formula:C22H21N2OClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-[cyclohexyl(phenyl)methylidene]amino]-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[cyclohexyl(phenyl)methylidene]amino]-1-benzothiophene-2-carboxamide |
| MolecularFormula | C22H21N2OClS |
| Smiles | O=C(c(sc1c2cccc1)c2Cl)N/N=C(/C1CCCCC1)\c1ccccc1 |
| InChI | InChI=1S/C22H21ClN2OS/c23-19-17-13-7-8-14-18(17)27-21(19)22(26)25-24-20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,25,26) |
| InChIK | FJOZRYJXZJHEQF-UHFFFAOYSA-N |
| TotalMolweight | 396.941 |
| Molweight | 396.941 |
| MonoisotopicMass | 396.10631 |
| CLogP | 6.0108 |
| CLogS | -7.492 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 298.96 |
| Relative PSA | 0.18855 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 0.44199 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; 3-halo-enone |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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