(Z)-N-[3-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine
Formula:C17H12N4BrF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[3-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[3-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine |
| MolecularFormula | C17H12N4BrF3S |
| Smiles | FC(c(n1/N=C\c2ccccc2)nnc1SCc(cc1)ccc1Br)(F)F |
| InChI | InChI=1S/C17H12BrF3N4S/c18-14-8-6-13(7-9-14)11-26-16-24-23-15(17(19,20)21)25(16)22-10-12-4-2-1-3-5-12/h1-10H,11H2 |
| InChIK | PFQAVJOKVNRCAI-UHFFFAOYSA-N |
| TotalMolweight | 441.274 |
| Molweight | 441.274 |
| MonoisotopicMass | 439.991811 |
| CLogP | 4.8948 |
| CLogS | -7.404 |
| H Acceptors | 4 |
| TotalSurfaceArea | 283.6 |
| Relative PSA | 0.20384 |
| PolarSurfaceArea | 68.37 |
| Druglikeness | -11.733 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-N-[3-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine | 2 - (Z)-N-[3-[(4-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine
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