4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide
Formula:C36H26N4OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide |
| MolecularFormula | C36H26N4OS2 |
| Smiles | O=C(c1ccc(CSc2nc(cccc3)c3s2)cc1)N/N=C\c(c1c2cccc1)c(-c1ccccc1)n2-c1ccccc1 |
| InChI | InChI=1S/C36H26N4OS2/c41-35(27-21-19-25(20-22-27)24-42-36-38-31-16-8-10-18-33(31)43-36)39-37-23-30-29-15-7-9-17-32(29)40(28-13-5-2-6-14-28)34(30)26-11-3-1-4-12-26/h1-23H,24H2,(H,39,41) |
| InChIK | GGLGXZNRJAXEDX-UHFFFAOYSA-N |
| TotalMolweight | 594.761 |
| Molweight | 594.761 |
| MonoisotopicMass | 594.154801 |
| CLogP | 8.9169 |
| CLogS | -12.578 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 450.62 |
| Relative PSA | 0.2035 |
| PolarSurfaceArea | 112.82 |
| Druglikeness | 5.7165 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51163 |
| Fragments | 1 |
| Non HAtoms | 43 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 7 |
| Aromatic Atoms | 36 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide | 2 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide
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