2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
Formula:C29H23N4OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide |
| MolecularFormula | C29H23N4OClS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C29H23ClN4OS/c30-25-16-12-22(13-17-25)19-34-27-9-5-4-8-26(27)32-29(34)36-20-28(35)33-31-18-21-10-14-24(15-11-21)23-6-2-1-3-7-23/h1-18H,19-20H2,(H,33,35) |
| InChIK | CDAXRSZGYDAHIW-UHFFFAOYSA-N |
| TotalMolweight | 511.048 |
| Molweight | 511.048 |
| MonoisotopicMass | 510.128108 |
| CLogP | 7.0116 |
| CLogS | -7.518 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 389.5 |
| Relative PSA | 0.18316 |
| 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 | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide | 2 - 2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
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