4-[(Z)-[[2-(1-benzylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
Formula:C24H19N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-(1-benzylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-[[2-(1-benzylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoate |
| MolecularFormula | C24H19N4O3S |
| Smiles | [O-]C(c1ccc(/C=N\NC(CSc2nc(cccc3)c3n2Cc2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C24H20N4O3S/c29-22(27-25-14-17-10-12-19(13-11-17)23(30)31)16-32-24-26-20-8-4-5-9-21(20)28(24)15-18-6-2-1-3-7-18/h1-14H,15-16H2,(H,27,29)(H,30,31)/p-1 |
| InChIK | LQOSMCPHHWJOBB-UHFFFAOYSA-M |
| TotalMolweight | 443.506 |
| Molweight | 443.506 |
| MonoisotopicMass | 443.117786 |
| CLogP | 1.9851 |
| CLogS | -4.709 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 339.6 |
| Relative PSA | 0.29052 |
| PolarSurfaceArea | 124.71 |
| Druglikeness | 6.2679 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| 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 | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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