4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide
Formula:C36H27N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide |
| MolecularFormula | C36H27N5OS |
| Smiles | O=C(c1ccc(CSc2nc(cccc3)c3[nH]2)cc1)N/N=C\c(c1c2cccc1)c(-c1ccccc1)n2-c1ccccc1 |
| InChI | InChI=1S/C36H27N5OS/c42-35(27-21-19-25(20-22-27)24-43-36-38-31-16-8-9-17-32(31)39-36)40-37-23-30-29-15-7-10-18-33(29)41(28-13-5-2-6-14-28)34(30)26-11-3-1-4-12-26/h1-23H,24H2,(H,38,39)(H,40,42) |
| InChIK | GDVROKYHUFJBCD-UHFFFAOYSA-N |
| TotalMolweight | 577.71 |
| Molweight | 577.71 |
| MonoisotopicMass | 577.19363 |
| CLogP | 8.2567 |
| CLogS | -11.722 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 444.25 |
| Relative PSA | 0.19208 |
| PolarSurfaceArea | 100.37 |
| Druglikeness | 5.8815 |
| 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 | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide | 2 - 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off