2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C23H20N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C23H20N4O2S |
| Smiles | O=C(CSc1nc(cccc2)c2[nH]1)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C23H20N4O2S/c28-22(16-30-23-25-20-11-4-5-12-21(20)26-23)27-24-14-18-9-6-10-19(13-18)29-15-17-7-2-1-3-8-17/h1-14H,15-16H2,(H,25,26)(H,27,28) |
| InChIK | PTSMYIAARXHGBM-UHFFFAOYSA-N |
| TotalMolweight | 416.504 |
| Molweight | 416.504 |
| MonoisotopicMass | 416.130696 |
| CLogP | 4.6042 |
| CLogS | -5.584 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 324.69 |
| Relative PSA | 0.27244 |
| PolarSurfaceArea | 104.67 |
| Druglikeness | 4.646 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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