(Z)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine
Formula:C17H13N4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine is a drug-like molecule.
| MolName | (Z)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine |
| MolecularFormula | C17H13N4F3S |
| Smiles | FC(c1cccc(/C=N\n2c(SCc3ccccc3)nnc2)c1)(F)F |
| InChI | InChI=1S/C17H13F3N4S/c18-17(19,20)15-8-4-7-14(9-15)10-22-24-12-21-23-16(24)25-11-13-5-2-1-3-6-13/h1-10,12H,11H2 |
| InChIK | GTBVSMAITRAXEV-UHFFFAOYSA-N |
| TotalMolweight | 362.378 |
| Molweight | 362.378 |
| MonoisotopicMass | 362.0813 |
| CLogP | 4.2801 |
| CLogS | -7.286 |
| H Acceptors | 4 |
| TotalSurfaceArea | 264.97 |
| Relative PSA | 0.21818 |
| PolarSurfaceArea | 68.37 |
| Druglikeness | -3.191 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine | 2 - (Z)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine
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