2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-benzylideneamino]acetamide
Formula:C23H20N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-benzylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-benzylideneamino]acetamide |
| MolecularFormula | C23H20N4OS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc1ccccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C23H20N4OS/c28-22(26-24-15-18-9-3-1-4-10-18)17-29-23-25-20-13-7-8-14-21(20)27(23)16-19-11-5-2-6-12-19/h1-15H,16-17H2,(H,26,28) |
| InChIK | BCUGQEOEWTUERZ-UHFFFAOYSA-N |
| TotalMolweight | 400.505 |
| Molweight | 400.505 |
| MonoisotopicMass | 400.135781 |
| CLogP | 4.7464 |
| CLogS | -4.696 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 314.32 |
| Relative PSA | 0.22697 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 6.2564 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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