2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide
Formula:C21H17N4OBrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide |
| MolecularFormula | C21H17N4OBrS2 |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc1ccccc1)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C21H17BrN4OS2/c22-19-11-10-16(29-19)12-23-25-20(27)14-28-21-24-17-8-4-5-9-18(17)26(21)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,25,27) |
| InChIK | YOJIMDOLGCHTTM-UHFFFAOYSA-N |
| TotalMolweight | 485.429 |
| Molweight | 485.429 |
| MonoisotopicMass | 484.002712 |
| CLogP | 5.5429 |
| CLogS | -5.557 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 328.89 |
| Relative PSA | 0.27882 |
| PolarSurfaceArea | 112.82 |
| Druglikeness | 3.7792 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide | 2 - 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide
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