(Z)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine
Formula:C16H13N4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine |
| MolecularFormula | C16H13N4BrS |
| Smiles | Brc1ccc(/C=N\n2c(SCc3ccccc3)nnc2)cc1 |
| InChI | InChI=1S/C16H13BrN4S/c17-15-8-6-13(7-9-15)10-19-21-12-18-20-16(21)22-11-14-4-2-1-3-5-14/h1-10,12H,11H2 |
| InChIK | NTKQBWWPOWMUGI-UHFFFAOYSA-N |
| TotalMolweight | 373.277 |
| Molweight | 373.277 |
| MonoisotopicMass | 372.004427 |
| CLogP | 4.157 |
| CLogS | -7.342 |
| H Acceptors | 4 |
| TotalSurfaceArea | 254.14 |
| Relative PSA | 0.22747 |
| PolarSurfaceArea | 68.37 |
| Druglikeness | 2.209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine | 2 - (Z)-N-(3-benzylsulfanyl-1,2,4-triazol-4-yl)-1-(4-bromophenyl)methanimine
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