2-[(Z)-[[2-(1-benzylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
Formula:C24H20N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-(1-benzylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[[2-(1-benzylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C24H20N4O3S |
| Smiles | OC(c1c(/C=N\NC(CSc2nc(cccc3)c3n2Cc2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C24H20N4O3S/c29-22(27-25-14-18-10-4-5-11-19(18)23(30)31)16-32-24-26-20-12-6-7-13-21(20)28(24)15-17-8-2-1-3-9-17/h1-14H,15-16H2,(H,27,29)(H,30,31) |
| InChIK | PXSCNASFMCJMPD-UHFFFAOYSA-N |
| TotalMolweight | 444.514 |
| Molweight | 444.514 |
| MonoisotopicMass | 444.125611 |
| CLogP | 4.0611 |
| CLogS | -4.709 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 338.42 |
| Relative PSA | 0.28804 |
| PolarSurfaceArea | 121.88 |
| Druglikeness | 6.05 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-benzylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[2-(1-benzylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off