(Z)-1-(2,4-dichlorophenyl)-N-[5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]methanimine

Formula:C24H13N5Cl4 Mutagenic:none Tumorigenic:none Reproductive Effective:low (Z)-1-(2,4-dichlorophenyl)-N-[5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]methanimine is not a drug-like molecule.

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
MolecularFormulaC24H13N5Cl4
SmilesClc1cc(Cl)c(/C=C/c2nc(cccc3)c3c3nc(/N=C\c(ccc(Cl)c4)c4Cl)nn23)cc1
InChIInChI=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
InChIKAWPBMALEIQZICP-UHFFFAOYSA-N
TotalMolweight513.214
Molweight513.214
MonoisotopicMass510.992503
CLogP7.0193
CLogS-9.493
H Acceptors5
TotalSurfaceArea361.85
Relative PSA0.14473
PolarSurfaceArea55.44
Druglikeness3.5441
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.54545
Fragments1
Non HAtoms33
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond4
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms25
Aromatic Nitrogens4
BasicNitrogens1
StereoCon

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