(Z)-N-[3-[(3-bromophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]-1-(3H-indol-3-yl)methanimine
Formula:C19H14N7BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(Z)-N-[3-[(3-bromophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]-1-(3H-indol-3-yl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[3-[(3-bromophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]-1-(3H-indol-3-yl)methanimine |
| MolecularFormula | C19H14N7BrS |
| Smiles | Brc1cc(CSc2nnc3n2ncn3/N=C\C2c(cccc3)c3N=C2)ccc1 |
| InChI | InChI=1S/C19H14BrN7S/c20-15-5-3-4-13(8-15)11-28-19-25-24-18-26(12-23-27(18)19)22-10-14-9-21-17-7-2-1-6-16(14)17/h1-10,12,14H,11H2/t14-/m1/s1 |
| InChIK | CSLWDDNLYRLHJI-CQSZACIVSA-N |
| TotalMolweight | 452.339 |
| Molweight | 452.339 |
| MonoisotopicMass | 451.021474 |
| CLogP | 2.8336 |
| CLogS | -6.157 |
| H Acceptors | 7 |
| TotalSurfaceArea | 301.91 |
| Relative PSA | 0.29227 |
| PolarSurfaceArea | 98.03 |
| Druglikeness | 2.9602 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (Z)-N-[3-[(3-bromophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]-1-(3H-indol-3-yl)methanimine | 2 - (Z)-N-[3-[(3-bromophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]-1-(3H-indol-3-yl)methanimine
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