| MolName | (Z)-1-(2,4-dichlorophenyl)-N-[5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]methanimine |
| MolecularFormula | C24H13N5Cl4 |
| Smiles | Clc1cc(Cl)c(/C=C/c2nc(cccc3)c3c3nc(/N=C\c(ccc(Cl)c4)c4Cl)nn23)cc1 |
| InChI | InChI=1S/C24H13Cl4N5/c25-16-8-5-14(19(27)11-16)7-10-22-30-21-4-2-1-3-18(21)23-31-24(32-33(22)23)29-13-15-6-9-17(26)12-20(15)28/h1-13H |
| InChIK | AWPBMALEIQZICP-UHFFFAOYSA-N |
| TotalMolweight | 513.214 |
| Molweight | 513.214 |
| MonoisotopicMass | 510.992503 |
| CLogP | 7.0193 |
| CLogS | -9.493 |
| H Acceptors | 5 |
| TotalSurfaceArea | 361.85 |
| Relative PSA | 0.14473 |
| PolarSurfaceArea | 55.44 |
| Druglikeness | 3.5441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-1-(2,4-dichlorophenyl)-N-[5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]methanimine | 2 - (Z)-1-(2,4-dichlorophenyl)-N-[5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]methanimine