(Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(3,4-dichlorophenyl)methanimine
Formula:C22H16N4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(3,4-dichlorophenyl)methanimine is not a drug-like molecule.
| MolName | (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(3,4-dichlorophenyl)methanimine |
| MolecularFormula | C22H16N4Cl2S |
| Smiles | Clc(ccc(/C=N\n1c(SCc2ccccc2)nnc1-c1ccccc1)c1)c1Cl |
| InChI | InChI=1S/C22H16Cl2N4S/c23-19-12-11-17(13-20(19)24)14-25-28-21(18-9-5-2-6-10-18)26-27-22(28)29-15-16-7-3-1-4-8-16/h1-14H,15H2 |
| InChIK | AVLFOWAVKCYNRO-UHFFFAOYSA-N |
| TotalMolweight | 439.369 |
| Molweight | 439.369 |
| MonoisotopicMass | 438.04727 |
| CLogP | 6.2868 |
| CLogS | -10.125 |
| H Acceptors | 4 |
| TotalSurfaceArea | 326.11 |
| Relative PSA | 0.17727 |
| PolarSurfaceArea | 68.37 |
| Druglikeness | 3.7744 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-(3,4-dichlorophenyl)methanimine | 2 - (Z)-N-(3-benzylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(3,4-dichlorophenyl)methanimine
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