4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
Formula:C26H24N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide |
| MolecularFormula | C26H24N4O2S2 |
| Smiles | O=C(c1ccc(CSc2nc(cccc3)c3s2)cc1)N/N=C\c(cc1)ccc1N1CCOCC1 |
| InChI | InChI=1S/C26H24N4O2S2/c31-25(29-27-17-19-7-11-22(12-8-19)30-13-15-32-16-14-30)21-9-5-20(6-10-21)18-33-26-28-23-3-1-2-4-24(23)34-26/h1-12,17H,13-16,18H2,(H,29,31) |
| InChIK | ZYZQIRJLAFSUOP-UHFFFAOYSA-N |
| TotalMolweight | 488.635 |
| Molweight | 488.635 |
| MonoisotopicMass | 488.134066 |
| CLogP | 5.3339 |
| CLogS | -7.089 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 369.14 |
| Relative PSA | 0.26651 |
| PolarSurfaceArea | 120.36 |
| Druglikeness | 5.3715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide | 2 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]benzamide
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