4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
Formula:C25H24N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide |
| MolecularFormula | C25H24N3O2ClS |
| Smiles | O=C(c1ccc(CSc(cc2)ccc2Cl)cc1)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C25H24ClN3O2S/c26-22-7-11-24(12-8-22)32-18-20-1-5-21(6-2-20)25(30)28-27-17-19-3-9-23(10-4-19)29-13-15-31-16-14-29/h1-12,17H,13-16,18H2,(H,28,30) |
| InChIK | KGUDUSSXWPUEPN-UHFFFAOYSA-N |
| TotalMolweight | 466.004 |
| Molweight | 466.004 |
| MonoisotopicMass | 465.127774 |
| CLogP | 5.438 |
| CLogS | -6.989 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 355.26 |
| Relative PSA | 0.18874 |
| PolarSurfaceArea | 79.23 |
| Druglikeness | 5.3976 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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