2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
Formula:C23H17N4OCl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C23H17N4OCl3S |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C23H17Cl3N4OS/c24-17-8-5-15(6-9-17)13-30-21-4-2-1-3-20(21)28-23(30)32-14-22(31)29-27-12-16-7-10-18(25)19(26)11-16/h1-12H,13-14H2,(H,29,31) |
| InChIK | ZAYRILUWVMCFDM-UHFFFAOYSA-N |
| TotalMolweight | 503.84 |
| Molweight | 503.84 |
| MonoisotopicMass | 502.018862 |
| CLogP | 6.5644 |
| CLogS | -6.904 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 360.58 |
| Relative PSA | 0.19785 |
| 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 | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
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