2-[(Z)-[[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoate
Formula:C24H18N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 2-[(Z)-[[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoate |
| MolecularFormula | C24H18N4O3ClS |
| Smiles | [O-]C(c1c(/C=N\NC(CSc2nc(cccc3)c3n2Cc(cc2)ccc2Cl)=O)cccc1)=O |
| InChI | InChI=1S/C24H19ClN4O3S/c25-18-11-9-16(10-12-18)14-29-21-8-4-3-7-20(21)27-24(29)33-15-22(30)28-26-13-17-5-1-2-6-19(17)23(31)32/h1-13H,14-15H2,(H,28,30)(H,31,32)/p-1 |
| InChIK | WGHHJNWPDVVTIP-UHFFFAOYSA-M |
| TotalMolweight | 477.951 |
| Molweight | 477.951 |
| MonoisotopicMass | 477.078813 |
| CLogP | 2.5911 |
| CLogS | -5.445 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 355.02 |
| Relative PSA | 0.2779 |
| PolarSurfaceArea | 124.71 |
| Druglikeness | 6.2933 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoate | 2 - 2-[(Z)-[[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off