4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
Formula:C21H16N4OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide |
| MolecularFormula | C21H16N4OS2 |
| Smiles | O=C(c1ccc(CSc2nc(cccc3)c3s2)cc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C21H16N4OS2/c26-20(25-23-13-15-9-11-22-12-10-15)17-7-5-16(6-8-17)14-27-21-24-18-3-1-2-4-19(18)28-21/h1-13H,14H2,(H,25,26) |
| InChIK | VVFOEPVUWIDJPG-UHFFFAOYSA-N |
| TotalMolweight | 404.517 |
| Molweight | 404.517 |
| MonoisotopicMass | 404.076551 |
| CLogP | 4.664 |
| CLogS | -6.191 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.06 |
| Relative PSA | 0.31301 |
| PolarSurfaceArea | 120.78 |
| Druglikeness | 4.7125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide | 2 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
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