2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
Formula:C29H23N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C29H23N4O2ClS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc(cccc1)c1Cl)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C29H23ClN4O2S/c30-25-14-5-4-10-22(25)19-34-27-16-7-6-15-26(27)32-29(34)37-20-28(35)33-31-18-21-9-8-13-24(17-21)36-23-11-2-1-3-12-23/h1-18H,19-20H2,(H,33,35) |
| InChIK | QKSCZKLTZOARMD-UHFFFAOYSA-N |
| TotalMolweight | 527.047 |
| Molweight | 527.047 |
| MonoisotopicMass | 526.123023 |
| CLogP | 6.748 |
| CLogS | -7.729 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 399.5 |
| Relative PSA | 0.2036 |
| PolarSurfaceArea | 93.81 |
| Druglikeness | 6.185 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide | 2 - 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
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