N-[(Z)-benzylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
Formula:C23H19N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide |
| MolecularFormula | C23H19N4OClS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C23H19ClN4OS/c24-19-12-10-18(11-13-19)15-28-21-9-5-4-8-20(21)26-23(28)30-16-22(29)27-25-14-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,27,29) |
| InChIK | SHHVCJPIWKSIEM-UHFFFAOYSA-N |
| TotalMolweight | 434.95 |
| Molweight | 434.95 |
| MonoisotopicMass | 434.096808 |
| CLogP | 5.3524 |
| CLogS | -5.432 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329.74 |
| Relative PSA | 0.21635 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 6.2732 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| 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 | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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