(Z)-1-(2-chloro-6-fluorophenyl)-N-[3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]methanimine
Formula:C18H11N6ClF4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(Z)-1-(2-chloro-6-fluorophenyl)-N-[3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(2-chloro-6-fluorophenyl)-N-[3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]methanimine |
| MolecularFormula | C18H11N6ClF4S |
| Smiles | FC(c1cccc(CSc2nnc3n2ncn3/N=C\c(c(F)ccc2)c2Cl)c1)(F)F |
| InChI | InChI=1S/C18H11ClF4N6S/c19-14-5-2-6-15(20)13(14)8-24-28-10-25-29-16(28)26-27-17(29)30-9-11-3-1-4-12(7-11)18(21,22)23/h1-8,10H,9H2 |
| InChIK | FMSFGHVTYYBNDU-UHFFFAOYSA-N |
| TotalMolweight | 454.838 |
| Molweight | 454.838 |
| MonoisotopicMass | 454.039053 |
| CLogP | 4.1498 |
| CLogS | -7.056 |
| H Acceptors | 6 |
| TotalSurfaceArea | 310.75 |
| Relative PSA | 0.24692 |
| PolarSurfaceArea | 85.67 |
| Druglikeness | -2.5947 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(2-chloro-6-fluorophenyl)-N-[3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]methanimine | 2 - (Z)-1-(2-chloro-6-fluorophenyl)-N-[3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]methanimine
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