2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide
Formula:C23H19N4OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(4-bromophenyl)methylideneamino]acetamide |
| MolecularFormula | C23H19N4OBrS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc1ccccc1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C23H19BrN4OS/c24-19-12-10-17(11-13-19)14-25-27-22(29)16-30-23-26-20-8-4-5-9-21(20)28(23)15-18-6-2-1-3-7-18/h1-14H,15-16H2,(H,27,29) |
| InChIK | XWOGMVRLSSZGPI-UHFFFAOYSA-N |
| TotalMolweight | 479.401 |
| Molweight | 479.401 |
| MonoisotopicMass | 478.046292 |
| CLogP | 5.4716 |
| CLogS | -5.53 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 332.95 |
| Relative PSA | 0.21427 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 4.4664 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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