2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C21H18N4O2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C21H18N4O2S |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc1ccccc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C21H18N4O2S/c26-20(24-22-13-17-9-6-12-27-17)15-28-21-23-18-10-4-5-11-19(18)25(21)14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,26) |
| InChIK | GDZNGVJTVIEIDQ-UHFFFAOYSA-N |
| TotalMolweight | 390.466 |
| Molweight | 390.466 |
| MonoisotopicMass | 390.115046 |
| CLogP | 3.9351 |
| CLogS | -4.378 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 304.01 |
| Relative PSA | 0.28108 |
| PolarSurfaceArea | 97.72 |
| Druglikeness | 6.0666 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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