4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide
Formula:C23H18N4O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide |
| MolecularFormula | C23H18N4O2F2S |
| Smiles | O=C(c1ccc(CSc2nc(cccc3)c3[nH]2)cc1)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C23H18F2N4O2S/c24-22(25)31-18-11-7-15(8-12-18)13-26-29-21(30)17-9-5-16(6-10-17)14-32-23-27-19-3-1-2-4-20(19)28-23/h1-13,22H,14H2,(H,27,28)(H,29,30) |
| InChIK | BZIXDJZOAOSSJY-UHFFFAOYSA-N |
| TotalMolweight | 452.484 |
| Molweight | 452.484 |
| MonoisotopicMass | 452.111852 |
| CLogP | 5.1741 |
| CLogS | -6.752 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 336.13 |
| Relative PSA | 0.26317 |
| PolarSurfaceArea | 104.67 |
| Druglikeness | 1.9875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide | 2 - 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]benzamide
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