(Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(3-bromophenyl)methanimine
Formula:C22H17N4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(3-bromophenyl)methanimine is not a drug-like molecule.
| MolName | (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(3-bromophenyl)methanimine |
| MolecularFormula | C22H17N4BrS |
| Smiles | Brc1cc(/C=N\n2c(SCc3ccccc3)nnc2-c2ccccc2)ccc1 |
| InChI | InChI=1S/C22H17BrN4S/c23-20-13-7-10-18(14-20)15-24-27-21(19-11-5-2-6-12-19)25-26-22(27)28-16-17-8-3-1-4-9-17/h1-15H,16H2 |
| InChIK | JPZGNUNKPMEWKH-UHFFFAOYSA-N |
| TotalMolweight | 449.375 |
| Molweight | 449.375 |
| MonoisotopicMass | 448.035727 |
| CLogP | 5.8 |
| CLogS | -9.487 |
| H Acceptors | 4 |
| TotalSurfaceArea | 313.9 |
| Relative PSA | 0.18417 |
| PolarSurfaceArea | 68.37 |
| Druglikeness | 1.9768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(3-bromophenyl)methanimine | 2 - (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(3-bromophenyl)methanimine
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