N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
Formula:C23H17N4OCl2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide |
| MolecularFormula | C23H17N4OCl2FS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cccc1)c1Cl)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C23H17Cl2FN4OS/c24-17-7-2-1-6-15(17)13-30-21-11-4-3-10-20(21)28-23(30)32-14-22(31)29-27-12-16-18(25)8-5-9-19(16)26/h1-12H,13-14H2,(H,29,31) |
| InChIK | KDHVYAMNHJFSDF-UHFFFAOYSA-N |
| TotalMolweight | 487.385 |
| Molweight | 487.385 |
| MonoisotopicMass | 486.048413 |
| CLogP | 6.0592 |
| CLogS | -6.482 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 351.51 |
| Relative PSA | 0.20295 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 4.9332 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide | 2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
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