N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-bromobenzamide
Formula:C19H13N4O2BrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-bromobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-bromobenzamide |
| MolecularFormula | C19H13N4O2BrS |
| Smiles | O=C(c1cccc(Br)c1)N/N=C\c(o1)ccc1Sc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C19H13BrN4O2S/c20-13-5-3-4-12(10-13)18(25)24-21-11-14-8-9-17(26-14)27-19-22-15-6-1-2-7-16(15)23-19/h1-11H,(H,22,23)(H,24,25) |
| InChIK | HZIXAXHCPCHSLY-UHFFFAOYSA-N |
| TotalMolweight | 441.308 |
| Molweight | 441.308 |
| MonoisotopicMass | 439.994257 |
| CLogP | 4.8757 |
| CLogS | -5.766 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 295.49 |
| Relative PSA | 0.31328 |
| PolarSurfaceArea | 108.58 |
| Druglikeness | 5.0629 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-bromobenzamide | 2 - N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-bromobenzamide
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