2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
Formula:C22H18N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide |
| MolecularFormula | C22H18N4OS |
| Smiles | O=C(CSc1nc(cccc2)c2[nH]1)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C22H18N4OS/c27-21(15-28-22-24-19-8-4-5-9-20(19)25-22)26-23-14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H,15H2,(H,24,25)(H,26,27) |
| InChIK | UOUWHFHWIZUHMV-UHFFFAOYSA-N |
| TotalMolweight | 386.478 |
| Molweight | 386.478 |
| MonoisotopicMass | 386.120131 |
| CLogP | 4.9153 |
| CLogS | -6.329 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 300.93 |
| Relative PSA | 0.26073 |
| PolarSurfaceArea | 95.44 |
| Druglikeness | 4.9648 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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