4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
Formula:C22H15N3OCl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C22H15N3OCl2S2 |
| Smiles | O=C(c1ccc(CSc2nc(cccc3)c3s2)cc1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C22H15Cl2N3OS2/c23-17-10-9-16(18(24)11-17)12-25-27-21(28)15-7-5-14(6-8-15)13-29-22-26-19-3-1-2-4-20(19)30-22/h1-12H,13H2,(H,27,28) |
| InChIK | XIWLUVVFUQLEJY-UHFFFAOYSA-N |
| TotalMolweight | 472.419 |
| Molweight | 472.419 |
| MonoisotopicMass | 471.003356 |
| CLogP | 6.8769 |
| CLogS | -8.458 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 338.14 |
| Relative PSA | 0.25087 |
| PolarSurfaceArea | 107.89 |
| Druglikeness | 4.73 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide | 2 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
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