2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Formula:C23H20N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C23H20N4O2S |
| Smiles | Oc1cccc(/C=N\NC(CSc2nc(cccc3)c3n2Cc2ccccc2)=O)c1 |
| InChI | InChI=1S/C23H20N4O2S/c28-19-10-6-9-18(13-19)14-24-26-22(29)16-30-23-25-20-11-4-5-12-21(20)27(23)15-17-7-2-1-3-8-17/h1-14,28H,15-16H2,(H,26,29) |
| InChIK | VTWCGNSBXVSNAD-UHFFFAOYSA-N |
| TotalMolweight | 416.504 |
| Molweight | 416.504 |
| MonoisotopicMass | 416.130696 |
| CLogP | 4.4007 |
| CLogS | -4.4 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 320.67 |
| Relative PSA | 0.26332 |
| PolarSurfaceArea | 104.81 |
| Druglikeness | 6.2314 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off